SCHEMBL2880296

SCHEMBL2880296

Cn1nnc2ccc(C=O)cc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.48
KEAP1 Q14145 1/20 0.48
CYP2A6 P11509 2/20 0.46
HCAR3 P49019 1/20 0.42
NSD2 O96028 1/20 0.39
CYP19A1 P11511 4/20 0.37
CYP11B1 P15538 1/20 0.37
HPGD P15428 3/20 0.37
NOTUM Q6P988 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
GRM4 Q14833 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNJ1 P48048 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1525887 0.86 HCAR3 (0.54) SLC9A1KEAP1CYP2A6HCAR3HPGD
SCHEMBL11388453 0.79 POLB (0.48) CYP2A6POLBMAPTKCNJ1NPC1
SCHEMBL6187604 0.78 HCAR3 (0.50) CYP2A6HCAR3HPGDSMN1; SMN2
SCHEMBL6185933 0.78 SLC9A1 (0.53) SLC9A1CYP2A6HCAR3POLBMAPT
SCHEMBL22926199 0.75 KDM1A (0.38) SLC9A1KEAP1HCAR3HPGDPOLB
SCHEMBL17103242 0.73 SLC9A1 (0.57) SLC9A1CYP2A6HCAR3MAPTNPC1
SCHEMBL3462849 0.73 SLC9A1 (0.55) SLC9A1KEAP1HCAR3NSD2CYP19A1
SCHEMBL2883687 0.73 CISD1 (0.56) HPGDNPC1RAB9A
SCHEMBL2883684 0.73 CISD1 (0.56) HPGDNPC1RAB9A
SCHEMBL17410806 0.72 SLC9A1 (0.53) SLC9A1KEAP1HCAR3NSD2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3891136-B1 4-HETEROARYLCARBONYL-N-(PHENYL OR HETEROARYL)PIPERIDINE-1-CARBOXAMIDES AS INHIBITORS OF TANKYRASES MERCK PATENT GMBH (DE) 2023-07-19 EP disclosed
US-20220389028-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2022-12-08 US disclosed
US-20220096454-A1 CARBOXYLIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2022-03-31 US disclosed
EP-3891136-A1 4-HETEROARYLCARBONYL-N-(PHENYL OR HETEROARYL) PIPERIDINE-1-CARBOXAMIDES AS INHIBITORS OF TANKYRASES Merck Patent GmbH (DE) 2021-10-13 EP disclosed
CN-113166097-A 4-heteroarylcarbonyl-N- (phenyl or heteroaryl) piperidine-1-carboxamides as tankyrase inhibitors 默克专利股份公司 2021-07-23 CN disclosed
WO-2021002986-A2 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2021-01-07 WO disclosed
WO-2020114892-A1 4-HETEROARYLCARBONYL-N-(PHENYL OR HETEROARYL) PIPERIDINE-1-CARBOXAMIDES AS INHIBITORS OF TANKYRASES MERCK PATENT GMBH (DE) 2020-06-11 WO disclosed
EP-1981871-B1 HETEROCYCLYLALKYL DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2011-12-28 EP disclosed
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
EP-0232966-B1 Process for the preparation of penem compounds and intermediates for this preparation BEECHAM GROUP PLC (GB) 1997-10-08 EP disclosed
US-5663354-A Process for preparing enantiomerically pure 6-[(4-chlorophenyl) (1H-1,2,4-triazol-1-yl) methyl]-1-methyl-1H-benzotrizole JANSSEN PHARMACEUTICA, N.V. (BE) 1997-09-02 US disclosed
US-5587392-A THERAPY FOR ESTROGEN DEPENDENT DISEASES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
EP-0408509-B1 Substituted benzonitriles CIBA GEIGY AG (CH) 1996-03-06 EP disclosed
EP-0684235-A1 Novel azolyl methyl phenyl derivatives having aromatase inhibitory activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-11-29 EP disclosed
EP-0668861-A1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE 6- (4-CHLOROPHENYL)(1H --TRIAZOL-1,2,4-TRIAZOL-1-YL)METHYL]-1-METHYL-1H --BENZOTRIAZOLE JANSSEN PHARMACEUTICA N.V. (BE) 1995-08-30 EP disclosed
WO-1994011364-A1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE 6-[(4-CHLOROPHENYL)(1H^_-TRIAZOL-1,2,4-TRIAZOL-1-YL)METHYL]-1-METHYL-1H^_-BENZOTRIAZOLE JANSSEN PHARMACEUTICA N.V. (BE) 1994-05-26 WO disclosed
US-5073574-A TETRAZOLYL SUBSTITUTED BENZONITRILES AND ANTI-TUMOR USE THEREOF CIBA-GEIGY CORPORATION (US) 1991-12-17 US disclosed
EP-0408509-A2 Substituted benzonitriles CIBA-GEIGY AG (CH) 1991-01-16 EP disclosed
EP-0232966-A1 Process for the preparation of penem compounds and intermediates for this preparation BEECHAM GROUP PLC (GB) 1987-08-19 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-20220096454-A1 CARBOXYLIC ACID DERIVATIVES IRAK1, TANK, TRAF6 SLC9A1 3327/4885KEAP1 690/4885CYP2A6 1564/4885
US-20220389028-A1 BAX INHIBITORS AND USES THEREOF BAX, TMBIM6, BCL2 SLC9A1 4345/4885KEAP1 2972/4885CYP2A6 4255/4885

“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.