SCHEMBL12326844

SCHEMBL12326844

Cc1cc([N+](=O)[O-])cc(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
TDP1 Q9NUW8 5/20 0.50
TSHR P16473 4/20 0.50
GPR35 Q9HC97 2/20 0.48
CYP3A4 P08684 2/20 0.47
CYP19A1 P11511 1/20 0.43
HIF1A Q16665 2/20 0.42
HTT P42858 5/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACHE P22303 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL76981 0.89 TSHR (0.56) ALDH1A1TDP1TSHRGPR35CYP3A4
SCHEMBL239666 0.84 CYP19A1 (0.52) ALDH1A1TDP1TSHRGPR35CYP3A4
SCHEMBL12593937 0.83 ALDH1A1 (0.50) ALDH1A1TDP1TSHRGPR35CYP3A4
SCHEMBL13304834 0.82 ALDH1A1 (0.61) ALDH1A1TDP1TSHRGPR35CYP3A4
SCHEMBL8467266 0.80 TSHR (0.56) ALDH1A1TDP1TSHRGPR35CYP3A4
SCHEMBL25276334 0.80 ALDH1A1 (0.65) ALDH1A1TDP1TSHRGPR35CYP3A4
SCHEMBL15983820 0.80 ALDH1A1 (0.55) ALDH1A1TDP1TSHRGPR35CYP3A4
SCHEMBL20973734 0.80 ALDH1A1 (0.48) ALDH1A1TDP1TSHRGPR35CYP3A4
SCHEMBL14744403 0.80 ALDH1A1 (0.48) ALDH1A1TDP1TSHRGPR35CYP3A4
SCHEMBL30148598 0.80 ALDH1A1 (0.48) ALDH1A1TDP1TSHRGPR35CYP3A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025202889-A1 HER2 MUTATION INHIBITORS ARRAY BIOPHARMA INC. (US) 2025-10-02 WO disclosed
WO-2025151402-A1 THIAZOLE TRPML1 AGONISTS AND USES THEREOF LIBRA THERAPEUTICS, INC. (US) 2025-07-17 WO disclosed
EP-4551571-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF Libra Therapeutics, Inc. (US) 2025-05-14 EP disclosed
CN-119790050-A Oxazole TRPML1 agonists and uses thereof 利布拉医疗公司 2025-04-08 CN disclosed
US-12098145-B2 Oxazole TRPML1 agonists and uses thereof LIBRA THERAPEUTICS, INC. (US) 2024-09-24 US disclosed
US-20240158381-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF LIBRA THERAPEUTICS, INC. 2024-05-16 US disclosed
WO-2024011155-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF LIBRA THERAPEUTICS, INC. (US) 2024-01-11 WO disclosed
US-20180179168-A1 SUBSTITUTED PHENYLOXAZOLIDINONES FOR ANTIMICROBIAL THERAPY THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. 2018-06-28 US disclosed
US-9181236-B2 2-spiro-substituted iminothiazines and their mono-and dioxides as bace inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2015-11-10 US disclosed
US-20140200213-A1 2-SPIRO-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-07-17 US disclosed
EP-2238116-B1 NOVEL IMIDAZOLINYLMETHYL ARYL SULFONAMIDES HOFFMANN LA ROCHE (CH) 2011-09-21 EP 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 (4 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-20180179168-A1 SUBSTITUTED PHENYLOXAZOLIDINONES FOR ANTIMICROBIAL THERAPY THPO, TBCD, OXA1L ALDH1A1 1310/4885TDP1 3713/4885TSHR 2581/4885
US-12098145-B2 Oxazole TRPML1 agonists and uses thereof TRPM7, TRPM2, TRPM5 ALDH1A1 1854/4885TDP1 3183/4885TSHR 1535/4885
US-20240158381-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF TRPM7, TRPM2, TRPM5 ALDH1A1 2066/4885TDP1 3095/4885TSHR 2320/4885
US-20140200213-A1 2-SPIRO-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE2, BACE1, APP ALDH1A1 318/4885TDP1 1455/4885TSHR 4366/4885

“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.