SCHEMBL1736274

SCHEMBL1736274

COCc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ GPR35 Q9HC97 1/20 0.51
▸ MAPT P10636 5/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ALDH5A1 P51649 1/20 0.47
▸ ABAT P80404 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.47

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
SCHEMBL3654642 0.89 POLB (0.43) POLBALDH1A1MAPK1TP53HPGD
SCHEMBL2346437 0.87 GPR35 (0.51) POLBALDH1A1MAPK1TP53HPGD
SCHEMBL11247481 0.84 CYP3A4 (0.50) ALDH1A1TSHRSMN1; SMN2MAPTLMNA
SCHEMBL1735030 0.83 POLB (0.49) POLBALDH1A1MAPK1TP53HPGD
SCHEMBL14662012 0.81 ALDH1A1 (0.51) ALDH1A1MAPK1HPGDTSHRSMN1; SMN2
SCHEMBL30209222 0.81 SNCA (0.41) ALDH1A1SMN1; SMN2KDM4ESNCALMNA
SCHEMBL1025776 0.81 POLB (0.56) POLBALDH1A1MAPK1TP53HPGD
SCHEMBL28917708 0.81 MAPT (0.56) POLBALDH1A1MAPK1TP53HPGD
SCHEMBL26458399 0.81 SMN1; SMN2 (0.43) POLBALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL69585 0.80 SNCA (0.62) POLBALDH1A1MAPK1TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4539840-A1 KINASE MODULATORS AND METHODS OF USE THEREOF Neuron23, Inc. (US) 2025-04-23 — — EP disclosed
CN-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 — — CN disclosed
EP-4524139-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2025-03-19 — — EP disclosed
WO-2023244788-A9 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-09-12 — — WO disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 — — US disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 — — US disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 — — US disclosed
WO-2023244788-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2023-12-21 — — WO disclosed
CN-117069725-A Imidazopyridazine substituted benzene ring derivative, preparation method, pharmaceutical composition and application 上海赛默罗生物科技有限公司 2023-11-17 — — CN disclosed
WO-2023216753-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 上海赛默罗生物科技有限公司 2023-11-16 — — WO disclosed
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine Glaxo Group Limited a corporation 2010-08-12 — — US disclosed
EP-2194982-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2010-06-16 — — EP disclosed
EP-2194983-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2010-06-16 — — EP disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 — — US disclosed
WO-2009037296-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 — — WO disclosed
WO-2009037294-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 — — WO disclosed
WO-2009037294-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 — — WO disclosed
WO-2009037296-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 — — WO disclosed
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 — — EP disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 — — 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 (3 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 POLB 1635/4885ALDH1A1 3312/4885MAPK1 3196/4885
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 POLB 3999/4885ALDH1A1 1041/4885MAPK1 1031/4885
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, JAK1, JAK3 POLB 3568/4885ALDH1A1 4807/4885MAPK1 178/4885

“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.

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