SCHEMBL202693

SCHEMBL202693

Nc1c(Br)cc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
CYP3A4 P08684 3/20 0.63
CTSB P07858 1/20 0.51
PDE7A Q13946 6/20 0.44
PDE7B Q9NP56 3/20 0.44
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
VCAM1 P19320 2/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 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
SCHEMBL2912091 0.87 ALDH1A1 (0.50) ALDH1A1CYP3A4CTSBPDE7APDE7B
SCHEMBL8903476 0.82 ALDH1A1 (0.55) ALDH1A1CYP3A4PDE7APDE7BTSHR
SCHEMBL1494433 0.82 GPR35 (0.47) ALDH1A1CYP3A4PDE7APDE7BTSHR
SCHEMBL204939 0.82 ALDH1A1 (0.55) ALDH1A1CYP3A4CTSBPDE7APDE7B
SCHEMBL29706644 0.79 ALDH1A1 (0.68) ALDH1A1CYP3A4CTSBTSHRMAPK1
SCHEMBL2783704 0.79 ALDH1A1 (0.68) ALDH1A1CYP3A4CTSBTSHRMAPK1
SCHEMBL4695676 0.78 ALDH1A1 (0.53) ALDH1A1CYP3A4PDE7APDE7BTSHR
SCHEMBL20535873 0.78 ALDH1A1 (0.44) ALDH1A1CYP3A4PDE7APDE7BTSHR
SCHEMBL3011561 0.78 ALDH1A1 (0.43) ALDH1A1CYP3A4CTSBPDE7APDE7B
SCHEMBL13363907 0.78 ALDH1A1 (0.43) ALDH1A1CYP3A4CTSBPDE7APDE7B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528827-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2026-01-20 US disclosed
EP-4596551-A1 COMPOUNDS WITH ANTI-KRAS MUTANT TUMOR ACTIVITY Trasveda Ltd. (KY) 2025-08-06 EP disclosed
US-20240309019-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-09-19 US disclosed
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
WO-2024067714-A1 COMPOUNDS WITH ANTI-KRAS MUTANT TUMOR ACTIVITY 泰励生物科技(上海)有限公司 2024-04-04 WO disclosed
CN-117800975-A Compounds with anti-KRAS mutant tumor activity 泰励生物科技(上海)有限公司 2024-04-02 CN disclosed
US-11932658-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-19 US disclosed
CN-116425721-B Bicyclic compounds as MAT2A inhibitors 艾立康药业股份有限公司 2024-02-02 CN disclosed
WO-2024026419-A1 QUINOXALINE DERIVATIVES AS PIK3 ALPHA MODULATORS BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
CN-116848100-A NOTCH inhibitors and uses thereof 干细胞协同疗法有限责任公司 2023-10-03 CN disclosed
WO-2009134750-A1 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 WO disclosed
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2008-12-18 US disclosed
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2008-12-18 US disclosed
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2008-12-18 US disclosed
WO-2008144275-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2008-11-27 WO disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed
US-5071995-A Excellent ultraviolet absorbability for polyesters and polyamides; high thermal stability KURARAY CO., LTD. (JP) 1991-12-10 US disclosed
EP-0363839-A1 2-hydroxyphenylbenzotriazol compounds and the use thereof KURARAY CO., LTD. (JP) 1990-04-18 EP disclosed
US-4053527-A REACTING HALONITROANILINES WITH ALCOHOLS AND NITROSATING AGENTS ION BASF AKTIENGESELLSCHAFT (DT) 1977-10-11 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 (5 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 ALDH1A1 1598/4885CYP3A4 18/4885CTSB 1349/4885
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4X1, CBR3, TYR ALDH1A1 1677/4885CYP3A4 60/4885CTSB 2337/4885
US-11932658-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors F2RL3, PARP14, F2R ALDH1A1 2680/4885CYP3A4 24/4885CTSB 478/4885
US-20240309019-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, F2R ALDH1A1 2558/4885CYP3A4 24/4885CTSB 404/4885
US-12528827-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors F2RL3, F2R, PF4 ALDH1A1 1173/4885CYP3A4 23/4885CTSB 749/4885

“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.