SCHEMBL256354

SCHEMBL256354

CN1Cc2ccncc2C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
TIPARP Q7Z3E1 2/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
NAMPT P43490 5/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9965909 0.85 MAOA (0.55) SIGMAR1CHRNB2CHRNA4MAOAMAOB
SCHEMBL9965975 0.84 MAOA (0.59) SIGMAR1CHRNB2CHRNA4MAOAMAOB
SCHEMBL26137531 0.78 ALDH1A1 (0.43) SIGMAR1TIPARPNAMPT
SCHEMBL14730735 0.77 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4TIPARPNAMPT
SCHEMBL15890216 0.77 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4TIPARPNAMPT
SCHEMBL28923808 0.77 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4TIPARPNAMPT
SCHEMBL8371349 0.77 NAMPT (0.43) SIGMAR1CHRNB2CHRNA4TIPARPNAMPT
SCHEMBL7766918 0.77 SIGMAR1 (0.42) SIGMAR1CHRNB2CHRNA4TIPARPNAMPT
SCHEMBL19902596 0.77 SIGMAR1 (0.42) SIGMAR1CHRNB2CHRNA4TIPARPNAMPT
SCHEMBL7878390 0.77 MITF (0.43) SIGMAR1CHRNB2CHRNA4TIPARPNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081345-A1 BENZOPYRIMIDIN-4(3H)-ONES AS PI3K INHIBITORS ONKURE, INC. (US) 2024-04-18 WO disclosed
WO-2024059845-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-03-21 WO disclosed
WO-2024054469-A1 ISOQUINOLONES AS PI3K INHIBITORS ONKURE, INC. (US) 2024-03-14 WO disclosed
WO-2023239710-A1 BENZOPYRIMIDIN-4(3H)-ONES AS PI3K INHIBITORS ONKURE, INC. (US) 2023-12-14 WO disclosed
US-11834455-B2 Carm1 inhibitors and uses thereof Epizyme, Inc. (US) 2023-12-05 US disclosed
US-20230279020-A9 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2023-09-07 US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
WO-2023064585-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY (US) 2023-04-20 WO disclosed
US-20230002393-A1 CDK KINASE INHIBITOR BEIJING BENICALL BIOTECH CO LTD (CN) 2023-01-05 US disclosed
US-20090298818-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2009-12-03 US disclosed
US-20090215772-A1 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LIMITED (UK) 2009-08-27 US disclosed
WO-2008055488-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2008-05-15 WO disclosed
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-29 US disclosed
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-29 US disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 US disclosed
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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 (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-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 SIGMAR1 58/4885CHRNB2 2675/4885CHRNA4 3315/4885
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma HSP90AB2P, HSP90AA1, HSP90AB1 SIGMAR1 2683/4885CHRNB2 3719/4885CHRNA4 4236/4885
US-20230002393-A1 CDK KINASE INHIBITOR CDK6, CDK4, CDK9 SIGMAR1 4837/4885CHRNB2 4814/4885CHRNA4 4790/4885
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 SIGMAR1 57/4885CHRNB2 2664/4885CHRNA4 3304/4885
US-20230279020-A9 CARM1 INHIBITORS AND USES THEREOF CARM1, TIAM1, ADRM1 SIGMAR1 3285/4885CHRNB2 2510/4885CHRNA4 3347/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF SIGMAR1 4557/4885CHRNB2 4402/4885CHRNA4 4253/4885
US-11834455-B2 Carm1 inhibitors and uses thereof CARM1, TIAM1, ADRM1 SIGMAR1 3295/4885CHRNB2 2551/4885CHRNA4 3379/4885
US-20090215772-A1 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 SIGMAR1 57/4885CHRNB2 3028/4885CHRNA4 3577/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A SIGMAR1 1300/4885CHRNB2 202/4885CHRNA4 166/4885
US-20090298818-A1 PHARMACEUTICAL COMPOUNDS H1-10, C1R, C1S SIGMAR1 627/4885CHRNB2 4494/4885CHRNA4 2948/4885

“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.