SCHEMBL424946

SCHEMBL424946

COC(=O)c1cc([N+](=O)[O-])c(Cl)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP10 Q14694 1/20 0.47
VCAM1 P19320 1/20 0.44
COMT P21964 1/20 0.42
USP7 Q93009 5/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
PADI4 Q9UM07 1/20 0.41
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.40
USP47 Q96K76 2/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL1455300 0.83 USP10 (0.56) USP10MAPTNPSR1LMNAPOLB
SCHEMBL1456043 0.83 DAO (0.55) VCAM1USP7LMNAPADI4USP47
SCHEMBL3231061 0.82 USP10 (0.48) USP10VCAM1COMTMAPTNPSR1
SCHEMBL426359 0.82 USP10 (0.51) USP10VCAM1MAPTNPSR1LMNA
SCHEMBL2681454 0.81 USP7 (0.58) USP10VCAM1USP7MAPTNPSR1
SCHEMBL3880847 0.81 USP10 (0.47) USP10VCAM1MAPTNPSR1LMNA
SCHEMBL1697985 0.81 USP10 (0.47) USP10VCAM1MAPTNPSR1LMNA
SCHEMBL10201532 0.80 USP7 (0.42) VCAM1USP7MAPTNPSR1LMNA
SCHEMBL2997410 0.78 BACE1 (0.44) USP10VCAM1USP7MAPTHTT
SCHEMBL2997412 0.78 BACE1 (0.44) USP10VCAM1USP7MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025119300-A1 MYT1 KINASE INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 广东东阳光药业股份有限公司 2025-06-12 WO disclosed
CN-120118088-A Myt1 kinase inhibitor compounds, pharmaceutical compositions thereof and uses thereof 广东东阳光药业股份有限公司 2025-06-10 CN disclosed
US-20250090540-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2025-03-20 US disclosed
CN-119371425-A Nitrogen-containing heterocyclic compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2025-01-28 CN disclosed
WO-2024255697-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2024-12-19 WO disclosed
EP-4399196-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2024-07-17 EP disclosed
CN-118201896-A PI 3K-alpha inhibitors and methods of use thereof 传达治疗有限公司 2024-06-14 CN disclosed
WO-2023039532-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-03-16 WO disclosed
CN-110294746-B Novel ASK1 inhibitor and application thereof 山东轩竹医药科技有限公司 2023-01-31 CN disclosed
CN-109563094-B (hetero) aryl-substituted piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-03-18 CN disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 US disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 US disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 US disclosed
WO-2008055068-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-05-08 WO disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI USP10 3260/4885VCAM1 2699/4885COMT 2215/4885
US-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 USP10 3870/4885VCAM1 4392/4885COMT 3669/4885
US-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 USP10 1935/4885VCAM1 3869/4885COMT 3788/4885
US-20250090540-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF PIK3CA, PIK3CB, PIK3CD USP10 1613/4885VCAM1 2013/4885COMT 2790/4885

“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.