SCHEMBL112833

SCHEMBL112833

COc1cc(N)cc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
CYP3A4 P08684 4/20 0.46
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
NQO2 P16083 2/20 0.39
CYP19A1 P11511 2/20 0.39
KDM1A O60341 1/20 0.39
HTR6 P50406 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL30259222 1.00 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1MAPK1TAAR1
SCHEMBL116606 0.82 ALDH1A1 (0.69) ALDH1A1CYP3A4TDP1MAPK1NQO2
SCHEMBL5800828 0.82 ALDH1A1 (0.59) ALDH1A1CYP3A4TDP1MAPK1NQO2
SCHEMBL168353 0.82 ALDH1A1 (0.69) ALDH1A1CYP3A4TAAR1NQO2CYP19A1
SCHEMBL186502 0.82 ALDH1A1 (0.59) ALDH1A1CYP3A4TAAR1NQO2CYP1A1
SCHEMBL8999877 0.80 MEN1 (0.43) ALDH1A1CYP3A4TDP1SMN1; SMN2MEN1
Ammonia Solution, Strong SCHEMBL10988442 0.79 ALDH1A1 (0.65) ALDH1A1CYP3A4TDP1MAPK1NQO2
SCHEMBL30365875 0.79 ALDH1A1 (0.65) ALDH1A1CYP3A4TDP1MAPK1NQO2
SCHEMBL21611343 0.79 ALDH1A1 (0.65) ALDH1A1CYP3A4TDP1MAPK1NQO2
Hydrochloric Acid SCHEMBL3275940 0.79 ALDH1A1 (0.65) ALDH1A1CYP3A4TDP1MAPK1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290306-B Nitrogen mustard derivative and preparation method thereof 西南科技大学 2025-03-04 CN claimed
CN-118290306-A Novel nitrogen mustard derivative and preparation method thereof 西南科技大学 2024-07-05 CN claimed
US-12545654-B2 MYC inhibitors and uses thereof STEMSYNERGY THERAPEUTICS, INC. (US) 2026-02-10 US disclosed
EP-4673149-A1 NEW COMPOUNDS AND TREATMENT OF RENAL CELL CARCINOMA Trustlife Global Inc. (US) 2026-01-07 EP disclosed
US-12486253-B2 Therapeutics for the degradation of mutant BRAF C4 THERAPEUTICS, INC. (US) 2025-12-02 US disclosed
EP-4624471-A1 PKMYT1 INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2025-10-01 EP disclosed
US-12384778-B2 Pyrazolopyridine compounds and uses thereof INCYTE CORPORATION (US) 2025-08-12 US disclosed
US-12338226-B2 Substituted benzodiazoles and use thereof in therapy THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2025-06-24 US disclosed
US-12331057-B2 Modulators of alpha-1 antitrypsin VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-17 US disclosed
US-20250171399-A1 PYRROLIDINE COMPOUNDS ELI LILLY AND COMPANY 2025-05-29 US disclosed
CN-119954828-A Parallel ring compound and preparation and application thereof 石药集团中奇制药技术(石家庄)有限公司 2025-05-09 CN disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 US 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 (9 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-12384778-B2 Pyrazolopyridine compounds and uses thereof PDXK, PCK1, PGK1 ALDH1A1 2205/4885CYP3A4 1456/4885TDP1 506/4885
US-12486253-B2 Therapeutics for the degradation of mutant BRAF BRAF, NRAS, KRAS ALDH1A1 1471/4885CYP3A4 4325/4885TDP1 726/4885
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 ALDH1A1 3771/4885CYP3A4 2407/4885TDP1 3331/4885
US-20250171399-A1 PYRROLIDINE COMPOUNDS SDHA, GMPS, SDHB ALDH1A1 978/4885CYP3A4 23/4885TDP1 1870/4885
US-12331057-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINC1, SERPINA3 ALDH1A1 477/4885CYP3A4 1833/4885TDP1 560/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 ALDH1A1 3771/4885CYP3A4 2407/4885TDP1 3331/4885
US-12545654-B2 MYC inhibitors and uses thereof MYC, MYCBP, NR2E1 ALDH1A1 4317/4885CYP3A4 4008/4885TDP1 2366/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885CYP3A4 3900/4885TDP1 47/4885
US-12338226-B2 Substituted benzodiazoles and use thereof in therapy XDH, CYP11B2, CYP4X1 ALDH1A1 274/4885CYP3A4 10/4885TDP1 1726/4885

“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.