SCHEMBL4916608

SCHEMBL4916608

NC(c1cccs1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
KEAP1 Q14145 1/20 0.35
ICMT O60725 2/20 0.35
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
HSD17B2 P37059 3/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TSHR P16473 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL23695497 1.00 ALOX5 (0.36) ALOX5CES2CES1KEAP1ICMT
SCHEMBL12261646 1.00 ALOX5 (0.36) ALOX5CES2CES1KEAP1ICMT
SCHEMBL2830906 0.92 SLC6A3 (0.38) ALOX5ICMTSLC6A3TSHRMAPT
SCHEMBL23695650 0.92 SLC6A3 (0.38) ALOX5CES2CES1KEAP1ICMT
SCHEMBL12261588 0.90 SLC6A3 (0.40) SLC6A3TSHRIDO1MAPTNPC1
Hydrochloric Acid SCHEMBL17818958 0.89 SLC6A3 (0.39) ICMTSLC6A3TSHRIDO1MAPT
SCHEMBL24017068 0.77 ALOX5 (0.42) ALOX5CES2CES1KEAP1SLC6A3
SCHEMBL24017067 0.77 ALOX5 (0.42) ALOX5CES2CES1KEAP1SLC6A3
SCHEMBL1309752 0.75 HSD17B2 (0.46) ALOX5CES2CES1KEAP1ICMT
Hydrochloric Acid SCHEMBL30098237 0.75 ALOX5 (0.41) ALOX5CES2CES1KEAP1ICMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230135729-A1 COMPOUND WITH ANTI-SPORE ACTIVITY AND PHARMACEUTICAL COMPOSITION THEREOF CHENGDU BIOBEL COMPANY LIMITED (CN) 2023-05-04 US disclosed
US-20230135729-A1 COMPOUND WITH ANTI-SPORE ACTIVITY AND PHARMACEUTICAL COMPOSITION THEREOF CHENGDU BIOBEL COMPANY LIMITED (CN) 2023-05-04 US disclosed
WO-2021147123-A1 COMPOUND HAVING ANTISPORULANT ACTIVITY AND PHARMACEUTICAL COMPOSITION THEREOF 成都贝诺科成生物科技有限公司 2021-07-29 WO disclosed
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-12-18 US disclosed
EP-2766352-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (UHN) (CA) 2014-08-20 EP disclosed
US-20140051679-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERISTY HEALTH NETWORKS (CA) 2014-02-20 US disclosed
EP-1697354-B1 ISOTHIAZOLE DIOXIDES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME (US) 2013-08-07 EP disclosed
WO-2013053051-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2013-04-18 WO disclosed
EP-1818325-A2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2007-08-15 EP disclosed
CN-1989097-A Process for the preparation of a diastereomerically enriched compound DSM IP ASSETS BV (NL) 2007-06-27 CN disclosed
EP-1381590-B1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2007-06-20 EP disclosed
EP-1778620-A1 PROCESS FOR THE PREPARATION OF A DIASTEREOMERICALLY ENRICHED COMPOUND DSMIP Assets B.V. (NL) 2007-05-02 EP disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 US disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 US disclosed
WO-2006008171-A1 PROCESS FOR THE PREPARATION OF A DIASTEREOMERICALLY ENRICHED COMPOUND DSM IP ASSETS B.V. (NL) 2006-01-26 WO disclosed
EP-0010401-B1 NOVEL (1-SUBSTITUTED) CYCLOALKYLMETHYL-ISOTHIOCYANATES, A PROCESS FOR THEIR PREPARATION, COMPOSITIONS COMPRISING THEM, AND THEIR USE AS PESTICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1982-05-05 EP disclosed
US-4216217-A FUNGICIDES, INSECTICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-08-05 US disclosed
EP-0010401-A2 Novel (1-substituted) cycloalkylmethyl-isothiocyanates, a process for their preparation, compositions comprising them, and their use as pesticides JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-30 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-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, ACKR3, CXCR1 ALOX5 428/4885CES2 2560/4885CES1 2009/4885
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME PLK4, PLK2, PLK3 ALOX5 1795/4885CES2 4249/4885CES1 2066/4885
US-20140051679-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K7, MAP3K1, MAP3K20 ALOX5 3119/4885CES2 2805/4885CES1 2219/4885
US-20230135729-A1 COMPOUND WITH ANTI-SPORE ACTIVITY AND PHARMACEUTICAL COMPOSITION THEREOF CASP9, CLPP, CASP1 ALOX5 1433/4885CES2 4260/4885CES1 2782/4885

“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.