SCHEMBL658257

SCHEMBL658257

COC(=O)c1ncc(Br)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
OPRK1 P41145 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NOTUM Q6P988 1/20 0.37

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
Methyl Nicotinate SCHEMBL30617301 0.81 ALDH1A1 (0.71) KDM4ELMNATSHRL3MBTL1MAPT
SCHEMBL14127742 0.80 CYP4F2 (0.45) CYP4F2CYP4A11MAPK1KDM4ELMNA
SCHEMBL14782142 0.80 MAPK1 (0.57) CYP4F2CYP4A11MAPK1KDM4ELMNA
SCHEMBL10382421 0.80 ATM (0.47) CYP4F2CYP4A11MAPK1KDM4ESMN1; SMN2
SCHEMBL9950882 0.78 TSHR (0.44) CYP4F2CYP4A11MAPK1KDM4ETSHR
SCHEMBL17014903 0.78 CYP4F2 (0.44) CYP4F2CYP4A11MAPK1KDM4ETSHR
SCHEMBL6873822 0.78 CYP4F2 (0.44) CYP4F2CYP4A11MAPK1KDM4ETSHR
SCHEMBL10328696 0.78 CYP4F2 (0.44) CYP4F2CYP4A11MAPK1KDM4ESMN1; SMN2
SCHEMBL15264511 0.78 CA1 (0.47) CYP4F2CYP4A11MAPK1KDM4ELMNA
SCHEMBL26307858 0.78 CYP4F2 (0.44) CYP4F2CYP4A11MAPK1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939829-B Synthetic method of aryl trifluoromethyl thioether 武汉药明康德新药开发有限公司 2023-02-21 CN claimed
CN-112939829-A Synthetic method of aryl trifluoromethyl thioether 武汉药明康德新药开发有限公司 2021-06-11 CN claimed
US-20260125367-A1 CANCER TREATMENTS TARGETING CANCER STEM CELLS REMEDY PLAN, INC. (US) 2026-05-07 US disclosed
US-20260053796-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS INC (US) 2026-02-26 US disclosed
US-20260034220-A1 ANTI-CEA IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2026-02-05 US disclosed
US-20260035361-A1 COMPOUNDS FOR MODULATING HUR (ELAVL1) SHANGHAI DEGRON BIOMEDICAL TECH CO LTD (CN) 2026-02-05 US disclosed
US-12522587-B2 Cancer treatments targeting cancer stem cells REMEDY PLAN, INC. (US) 2026-01-13 US disclosed
US-20260001846-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS SERVIER LAB (FR) 2026-01-01 US disclosed
US-20260001870-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2026-01-01 US disclosed
US-12448371-B2 Inhibitor compounds Cincera Therapeutics Pty Ltd (AU) 2025-10-21 US disclosed
EP-4626880-A1 COMPOUNDS FOR MODULATING HUR (ELAVL1) Shanghai Degron Biomedical Technology Co., Ltd. (CN) 2025-10-08 EP disclosed
US-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists PFIZER INC 2008-05-08 US disclosed
US-7291640-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2007-11-06 US disclosed
US-7291640-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2007-11-06 US disclosed
US-7291640-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2007-11-06 US disclosed
EP-1673355-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS Pfizer Limited (GB) 2006-06-28 EP disclosed
WO-2005028452-A9 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2005-07-21 WO disclosed
WO-2005028452-A9 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2005-07-21 WO disclosed
US-20050107382-A1 e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. PFIZER INC. 2005-05-19 US disclosed
WO-2005028452-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2005-03-31 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 (9 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-20260053796-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, NR5A1, KLK3 CYP4F2 771/4885CYP4A11 80/4885MAPK1 2144/4885
US-20260001846-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BCL2A1, BAX CYP4F2 3152/4885CYP4A11 379/4885MAPK1 245/4885
US-20050107382-A1 e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. OXTR, OPRL1, NPY4R CYP4F2 571/4885CYP4A11 1037/4885MAPK1 1520/4885
US-20260001870-A1 INHIBITOR COMPOUNDS CES1, NCEH1, NR1H2 CYP4F2 1461/4885CYP4A11 271/4885MAPK1 1857/4885
US-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists OXTR, PRLHR, KISS1R CYP4F2 1989/4885CYP4A11 1304/4885MAPK1 2743/4885
US-20260034220-A1 ANTI-CEA IMMUNOCONJUGATES, AND USES THEREOF IL2, CD47, EPCAM CYP4F2 1054/4885CYP4A11 726/4885MAPK1 2014/4885
US-12448371-B2 Inhibitor compounds SERPINB1, MMP1, SSB CYP4F2 3745/4885CYP4A11 2488/4885MAPK1 567/4885
US-20260125367-A1 CANCER TREATMENTS TARGETING CANCER STEM CELLS MCL1, MALT1, BCL6 CYP4F2 2967/4885CYP4A11 1203/4885MAPK1 3373/4885
US-20260035361-A1 COMPOUNDS FOR MODULATING HUR (ELAVL1) ELAVL1, ELAVL3, HNRNPL CYP4F2 2922/4885CYP4A11 2352/4885MAPK1 3753/4885

“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.