SCHEMBL5352835

SCHEMBL5352835

CN(CC(=O)O)c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
CYP2D6 P10635 1/20 0.44
OPRK1 P41145 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 2/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
MMP2 P08253 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GSK3B P49841 1/20 0.41
CA1 P00915 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
SCHEMBL21192536 0.82 CA12 (0.36) KMT2AKEAP1NFE2L2GAAL3MBTL1
SCHEMBL14477260 0.81 HTT (0.46) MAOBHTTKMT2AKEAP1NFE2L2
SCHEMBL27992760 0.81 HTT (0.46) MAOBHTTKMT2AKEAP1NFE2L2
SCHEMBL5346395 0.81 HTT (0.45) MAOBCYP2D6OPRK1HTTKMT2A
SCHEMBL1821084 0.81 KMT2A (0.60) CYP2D6OPRK1KMT2ACHRNB2CHRNB4
SCHEMBL7057421 0.80 FFAR1 (0.47) MAOBKMT2AL3MBTL1GSK3BCA1
SCHEMBL27992759 0.80 HTT (0.45) MAOBHTTKMT2AKEAP1NFE2L2
SCHEMBL8376226 0.79 HCRTR2 (0.44) MAOBHTTKMT2AKEAP1NFE2L2
SCHEMBL20322980 0.79 HCRTR2 (0.47) CYP2D6OPRK1KMT2ACHRNB2CHRNB4
SCHEMBL3348892 0.77 KEAP1 (0.54) KMT2AKEAP1NFE2L2GAACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0551697-B1 Photoinitiator system and photopolymerizable composition using the same HITACHI CHEMICAL CO LTD (JP) 1997-05-14 EP claimed
JP-10036212-A None JP disclosed
EP-3560928-B1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY SHENZHEN CHIPSCREEN BIOSCIENCES CO LTD (CN) 2021-10-20 EP disclosed
EP-3560928-B1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY SHENZHEN CHIPSCREEN BIOSCIENCES CO LTD (CN) 2021-10-20 EP disclosed
CN-108203438-B Fused imidazole compounds having indoleamine 2,3-dioxygenase inhibitory activity 深圳微芯生物科技股份有限公司 2021-09-28 CN disclosed
US-10604529-B2 Fused imidazole compound having indoleamine 2,3-dioxygenase inhibitory activity SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD. (CN) 2020-03-31 US disclosed
US-10604529-B2 Fused imidazole compound having indoleamine 2,3-dioxygenase inhibitory activity SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD. (CN) 2020-03-31 US disclosed
US-20190352307-A1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD. (CN) 2019-11-21 US disclosed
US-20190352307-A1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD. (CN) 2019-11-21 US disclosed
EP-3560928-A1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2019-10-30 EP disclosed
US-6087380-A ANTITHROMBOTIC BENZIMIDAZOLES; ANTICOAGULANTS; 2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-BENZIMIDAZOL-5-YL-CARBOXYLIC ACIDS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-07-11 US disclosed
CN-1248251-A Disubstituted bicyclic heterocycles, their production and use as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2000-03-22 CN disclosed
EP-0966454-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 1999-12-29 EP disclosed
EP-0636939-B1 Photoinitiator compositions and photosensitive materials using the same HITACHI CHEMICAL CO LTD (JP) 1999-03-03 EP disclosed
US-5811218-A IMPROVED PHOTOSENSITIVITY FOR MATERIALS CONTAINING POLYAMIC ACID AND ADDITION POLYMERIZABLE COMPOUND USED FOR PATTERN FORMATION HITACHI CHEMICAL COMPANY, LTD. (JP) 1998-09-22 US disclosed
WO-1998037075-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-08-27 WO disclosed
JP-H1036212-A PHOTOPOLYMERIZABLE COMPOSITION FOR DENTISTRY KURARAY CO LTD 1998-02-10 JP disclosed
EP-0551697-B1 Photoinitiator system and photopolymerizable composition using the same HITACHI CHEMICAL CO LTD (JP) 1997-05-14 EP disclosed
EP-0636939-A2 Photoinitiator compositions and photosensitive materials using the same HITACHI CHEMICAL COMPANY, LTD. (JP) 1995-02-01 EP disclosed
EP-0551697-A1 Photoinitiator system and photopolymerizable composition using the same HITACHI CHEMICAL CO., LTD. (JP) 1993-07-21 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 (2 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-20190352307-A1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY IDO1, IDO2, INMT MAOB 10/4885CYP2D6 198/4885OPRK1 861/4885
US-10604529-B2 Fused imidazole compound having indoleamine 2,3-dioxygenase inhibitory activity IDO1, IDO2, INMT MAOB 10/4885CYP2D6 79/4885OPRK1 1035/4885

“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.