SCHEMBL126485

SCHEMBL126485

CCc1cccc(C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.56
GLA P06280 1/20 0.54
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
IDH1 O75874 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
MEP1A Q16819 1/20 0.45
MEP1B Q16820 1/20 0.45
SCN8A Q9UQD0 1/20 0.44
ENPP2 Q13822 1/20 0.44
MGLL Q99685 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
DRD2 P14416 1/20 0.42

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
SCHEMBL11511803 0.89 GLA (0.50) CYP2A6GLACYP19A1CYP11B1CYP11B2
SCHEMBL13266542 0.88 GABRG2 (0.49) CYP2A6GLACTSSCTSK
SCHEMBL920830 0.84 CYP2A6 (0.44) CYP2A6GLAALDH1A1
SCHEMBL13462745 0.83 MAOB (0.55) MRGPRX4MAOAMAOB
SCHEMBL4934435 0.83 GLA (0.51) CYP2A6GLACYP19A1CYP11B1CYP11B2
SCHEMBL2154019 0.82 GLA (0.53) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL2153847 0.82 HRH3 (0.59) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL14163905 0.81 FFAR1 (0.63) CYP2A6CYP19A1CYP11B1CYP11B2MRGPRX4
SCHEMBL17216886 0.81 MRGPRX4 (0.43) CYP2A6GLAMRGPRX4SCN8AMAOA
Beta-Alanine SCHEMBL7362776 0.81 FFAR1 (0.52) GLAIDH1MEP1AMEP1BMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115960100-B Synthesis method of Pi Mite xib drug for treating gastrointestinal stromal tumor 北京康立生医药技术开发有限公司 2023-08-18 CN claimed
CN-113024530-B Isatin-1, 2, 4-oxadiazole compound and preparation method and application thereof 合肥工业大学 2023-07-18 CN claimed
WO-2023283974-A1 DEUTERATED AMMONIA PREPARATION METHOD AND DEUTERATION REACTION INVOLVING SAME AS DEUTERIUM SOURCE 苏州大学 2023-01-19 WO claimed
CN-113526526-A Preparation method of deuterated ammonia and deuterated reaction taking deuterated ammonia as deuterium source to participate 苏州大学 2021-10-22 CN claimed
CN-113024530-A Isatin-1, 2, 4-oxadiazole compound and preparation method and application thereof 合肥工业大学 2021-06-25 CN claimed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US claimed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP claimed
US-7749985-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2010-07-06 US claimed
US-20090286759-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2009-11-19 US claimed
US-7585996-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2009-09-08 US claimed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US claimed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP claimed
US-20080146526-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. 2008-06-19 US claimed
CN-121097214-B Secondary battery and electrochemical device 宁德新能源科技有限公司 2026-05-12 CN disclosed
CN-119980266-A Method for electrochemical catalysis of direct amination reaction of aromatic alkane hydrocarbon bond 南京工业大学 2025-05-13 CN disclosed
US-20240382465-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2024-11-21 US disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed
US-4517197-A ANTIDEPRESSANTS DELALANDE S.A. (FR) 1985-05-14 US disclosed
US-4188486-A 2-Substituted benzimidazole compounds KANEBO, LTD. (JP) 1980-02-12 US disclosed
US-3931295-A Hydroxylation of aromatic compounds UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-01-06 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 (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-20090286759-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, NAPEPLD, AASDHPPT CYP2A6 191/4885GLA 471/4885CYP19A1 691/4885
US-20240382465-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF FAR1, ACAD11, ACOX1 CYP2A6 614/4885GLA 569/4885CYP19A1 350/4885
US-20080146526-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, NAPEPLD, AASDHPPT CYP2A6 191/4885GLA 471/4885CYP19A1 691/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 CYP2A6 28/4885GLA 4410/4885CYP19A1 527/4885

“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.