SCHEMBL162548

SCHEMBL162548

CCNC(=O)c1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 2/20 0.42
CA1 P00915 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NAAA Q02083 1/20 0.41
OPRD1 P41143 4/20 0.40
OPRM1 P35372 3/20 0.40
ACACB O00763 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PLK1 P53350 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5909057 0.84 CA12 (0.58) CA9CA12MEN1LMNAMAPT
SCHEMBL2477903 0.84 KDM4E (0.56) LMNAKMT2ANAAAALDH1A1NPC1
SCHEMBL4158767 0.81 SMN1; SMN2 (0.62) MEN1MAPTHPGDKMT2ANAAA
SCHEMBL2156507 0.80 NAMPT (0.47) CA9CA12MEN1KMT2ACA1
SCHEMBL4180665 0.80 NAAA (0.68) MEN1MAPTHPGDKMT2ANAAA
SCHEMBL3317719 0.79 CYP1A2 (0.43) MEN1LMNAMAPTKMT2AGAA
SCHEMBL4265838 0.79 ALDH1A1 (0.49) MEN1LMNAMAPTHPGDKMT2A
SCHEMBL3179898 0.79 ADORA2A (0.49) LMNAHPGDGAANPC1RAB9A
SCHEMBL3038367 0.79 LMNA (0.47) LMNAMAPTHPGDKMT2AGAA
SCHEMBL27773889 0.79 KMT2A (0.61) MEN1LMNAHPGDKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023185920-A1 FAK DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BERRYBIO (SHANGHAI) LIMITED (CN) 2023-10-05 WO claimed
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP claimed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US claimed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP claimed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN claimed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US claimed
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US claimed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP claimed
CN-106590026-B A kind of reactive blue dye and its preparation and application 泰兴锦云染料有限公司 2018-06-12 CN claimed
US-5877312-A Method for preparing alkylating agents for their use for alkylating cyclic ureas DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-02 US claimed
EP-0830349-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-25 EP claimed
US-5637780-A Method for preparing alkylating agents and their use for alkylating cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-10 US claimed
EP-0767770-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-16 EP claimed
WO-1996039393-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-12 WO claimed
WO-1996000708-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-11 WO claimed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed
EP-0075434-A2 Cephalosporins, their preparation and their pharmaceutical compositions ICI PHARMA (FR) 1983-03-30 EP claimed
EP-0071370-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them ICI PHARMA (FR) 1983-02-09 EP claimed
US-4262851-A HIGH SPEED MILLING WITHOUT SURFACTANTS BASF AKTIENGESELLSCHAFT (DE) 1981-04-21 US claimed

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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 CA9 1653/4885CA12 3040/4885MEN1 1006/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 CA9 1056/4885CA12 2491/4885MEN1 473/4885
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 CA9 765/4885CA12 742/4885MEN1 2966/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 CA9 1056/4885CA12 2491/4885MEN1 473/4885

“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.