SCHEMBL644360

SCHEMBL644360

O=C(OCc1ccccc1)c1ccc(Br)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 3/20 0.53
KMT2A Q03164 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
MEN1 O00255 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
TSHR P16473 2/20 0.49
DGAT1 O75907 1/20 0.49
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.46
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
HTT P42858 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31737536 0.88 ALDH1A1 (0.54) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL522838 0.85 ALDH1A1 (0.57) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL18703864 0.85 ALDH1A1 (0.57) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL6832741 0.85 TDP1 (0.59) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL25087362 0.85 ALDH1A1 (0.50) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL18782372 0.84 ALDH1A1 (0.64) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL23457841 0.84 TDP1 (0.67) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL5463584 0.83 GLA (0.46) ALDH1A1KMT2AMEN1TMEM97SIGMAR1
SCHEMBL19479103 0.82 ALDH1A1 (0.54) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL3950165 0.82 ALDH1A1 (0.54) ALDH1A1TDP1KMT2ASLC6A2SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 511 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12582634-B2 Synthetic methods for preparation of 4-(2-chloro-4-methoxy-5-methylphenyl)-n-[(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-n-prop-2-ynyl-1,3-thiazol-2-amine NEUROCRINE BIOSCIENCES, INC. (US) 2026-03-24 US claimed
US-20230286932-A1 SYNTHETIC METHODS FOR PREPARATION OF 4-(2-CHLORO-4-METHOXY-5-METHYLPHENYL)-N-[(1S)-2-CYCLOPROPYL-1-(3-FLUORO-4-METHYLPHENYL)ETHYL]-5-METHYL-N-PROP-2-YNYL-1,3-THIAZOL-2-AMINE NEUROCRINE BIOSCIENCES, INC. 2023-09-14 US claimed
CN-115087647-A Synthetic method for preparing 4- (2-chloro-4-methoxy-5-methylphenyl) -N- [ (1S) -2-cyclopropyl-1- (3-fluoro-4-methylphenyl) ethyl ] -5-methyl-N-prop-2-alkynyl-1, 3-thiazol-2-amine 纽罗克里生物科学有限公司 2022-09-20 CN claimed
WO-2021111179-A1 SYNTHETIC METHOD FOR PREPARATION OF 4-(2-CHLORO-4-METHOXY-5-METHYLPHENYL)-N-[(1S)-2-CYCLOPROPYL-1-(3-FLUORO-4-METHYLPHENYL)ETHYL]-5-METHYL-N-PROP-2-YNYL-1,3-THIAZOL-2-AMINE NEUROCRINE BIOSCIENCES, INC. (US) 2021-06-10 WO claimed
US-20260098029-A1 KIF18A INHIBITORS AMGEN INC. (US) 2026-04-09 US disclosed
US-12582634-B2 Synthetic methods for preparation of 4-(2-chloro-4-methoxy-5-methylphenyl)-n-[(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-n-prop-2-ynyl-1,3-thiazol-2-amine NEUROCRINE BIOSCIENCES, INC. (US) 2026-03-24 US disclosed
US-20260062430-A1 INHIBITORS OF KIF18A AND USES THEREOF ACCENT THERAPEUTICS INC (US) 2026-03-05 US disclosed
US-12509442-B2 KIF18A inhibitors AMGEN INC. (US) 2025-12-30 US disclosed
US-12459932-B2 KIF18A inhibitors AMGEN INC. (US) 2025-11-04 US disclosed
US-20250320224-A1 NOVEL PAR-2 INHIBITORS DOMAIN THERAPEUTICS (FR) 2025-10-16 US disclosed
EP-3984523-B1 CRF1 RECEPTOR ANTAGONIST, PHARMACEUTICAL FORMULATIONS AND SOLID FORMS THEREOF FOR THE TREATMENT OF CONGENITAL ADRENAL HYPERPLASIA NEUROCRINE BIOSCIENCES INC (US) 2025-09-03 EP disclosed
US-12391709-B2 Inhibitors of KIF18A and uses thereof ACCENT THERAPEUTICS, INC. (US) 2025-08-19 US disclosed
US-6699860-B2 ADRENERGIC BLOCKING AGENTS BAYER PHARMACEUTICALS CORPORATION 2004-03-02 US disclosed
EP-1389202-A1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS Bayer Pharmaceuticals Corporation (US) 2004-02-18 EP disclosed
US-6660752-B2 Adrenergic blocking agents BAYER PHARMACEUTICALS CORPORATION 2003-12-09 US disclosed
EP-1343778-A2 DI-SUBSTITUTED AMINOMETHYL CHROMAN DERIVATIVE BETA-3 ADRENORECEPTOR AGONISTS Bayer Corporation (US) 2003-09-17 EP disclosed
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 US disclosed
US-20030078258-A1 Di-substituted aminomethyl-chroman derivative beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 US disclosed
WO-2002085891-A1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2002-10-31 WO disclosed
WO-2002048134-A2 DI-SUBSTITUTED AMINOMETHYL CHROMAN DERIVATIVE BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2002-06-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12509442-B2 KIF18A inhibitors KIF18A, KIF18B, KIFC1 ALDH1A1 1067/4885TDP1 1527/4885KMT2A 379/4885
US-20250320224-A1 NOVEL PAR-2 INHIBITORS F2RL1, F2R, F2RL3 ALDH1A1 1534/4885TDP1 1631/4885KMT2A 2245/4885
US-12391709-B2 Inhibitors of KIF18A and uses thereof KIF18A, KIF18B, KIF2C ALDH1A1 1321/4885TDP1 741/4885KMT2A 1089/4885
US-12459932-B2 KIF18A inhibitors KIF18A, KIF18B, KIF15 ALDH1A1 1354/4885TDP1 1139/4885KMT2A 501/4885
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 ALDH1A1 1358/4885TDP1 3719/4885KMT2A 4051/4885
US-20230286932-A1 SYNTHETIC METHODS FOR PREPARATION OF 4-(2-CHLORO-4-METHOXY-5-METHYLPHENYL)-N-[(1S)-2-CYCLOPROPYL-1-(3-FLUORO-4-METHYLPHENYL)ETHYL]-5-METHYL-N-PROP-2-YNYL-1,3-THIAZOL-2-AMINE CYP21A2, NR5A1, HSD3B1 ALDH1A1 700/4885TDP1 1221/4885KMT2A 1131/4885
US-20260098029-A1 KIF18A INHIBITORS KIF18A, KIF18B, KIFC1 ALDH1A1 1020/4885TDP1 1491/4885KMT2A 383/4885
US-12582634-B2 Synthetic methods for preparation of 4-(2-chloro-4-methoxy-5-methylphenyl)-n-[(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-n-prop-2-ynyl-1,3-thiazol-2-amine CYP21A2, CYP11B1, NR5A1 ALDH1A1 525/4885TDP1 406/4885KMT2A 425/4885
US-20030078258-A1 Di-substituted aminomethyl-chroman derivative beta-3 adrenoreceptor agonists ADRB3, ADRB1, ADRB2 ALDH1A1 1696/4885TDP1 3902/4885KMT2A 3080/4885
US-20260062430-A1 INHIBITORS OF KIF18A AND USES THEREOF KIF18A, KIF18B, KIF5B ALDH1A1 1251/4885TDP1 852/4885KMT2A 448/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.