SCHEMBL2531432

SCHEMBL2531432

C=COC(=O)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
APP P05067 1/20 0.53
GAA P10253 1/20 0.53
HCAR3 P49019 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
KMT2A Q03164 8/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 1/20 0.53
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
SARM1 Q6SZW1 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
SIRT4 Q9Y6E7 1/20 0.52
LMNA P02545 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL9298218 0.84 ALDH1A1 (0.62) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL1817894 0.82 ALDH1A1 (0.66) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL1114620 0.79 ALDH1A1 (0.67) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL25411422 0.79 ALDH1A1 (0.62) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL5340249 0.79 ALDH1A1 (0.57) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL22129598 0.79 PLOD2 (0.59) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL11878031 0.79 ALDH1A1 (0.71) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL31648307 0.79 ALDH1A1 (0.71) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL30659698 0.79 ALDH1A1 (0.71) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL2491556 0.79 ALDH1A1 (0.71) ALDH1A1APPGAAHCAR3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096740-A BLOCK N-METHYL-ASPARTATE RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH AND INDUSTRIAL DEVELOPMENT LTD. (IL) 2000-08-01 US claimed
US-20120270900-A1 NOVEL METHOD OF TREATMENT TOPO TARGET A/S (DK) 2012-10-25 US disclosed
US-8044233-B2 Process for preparing vinyl carboxylates BASF AKTIENGESELLSCHAFT (DE) 2011-10-25 US disclosed
WO-2011006988-A1 METHOD FOR PREDICTING THE UTILITY OF ADMINISTERING NICOTINIC ACID OR A PRECURSOR OR PRODRUG THEREOF TO REDUCE THE SEVERITY OF SIDE-EFFECTS OF CANCER TREATMENT WITH NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS TOPOTARGET A/S (DK) 2011-01-20 WO disclosed
US-7608727-B2 Process for the preparation of furan compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-10-27 US disclosed
US-20080308765-A1 Process for Preparing Vinyl Carboxylates BASF SE (DE) 2008-12-18 US disclosed
US-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 US disclosed
EP-1826202-A1 Process for the preparation of furan compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-08-29 EP disclosed
US-20070197806-A1 Process for the preparation of furan compounds DAICEL CHEMICAL INDUSTRIES, LTD. 2007-08-23 US disclosed
US-7204997-B2 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2007-04-17 US disclosed
US-6509469-B1 Reacting 1,2,4-triazine compound with vinyl carboxylate SANKIO CHEMICAL CO., LTD. (JP) 2003-01-21 US disclosed
EP-1243579-A1 PROCESS FOR THE PRODUCTION OF PYRIDINE DERIVATIVES Sankio Chemical Co., Ltd. (JP) 2002-09-25 EP disclosed
EP-0711813-B1 Antifouling coating composition HITACHI CHEMICAL CO LTD (JP) 2001-07-25 EP disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
US-5773508-A BIODEGRADABLE POLYMER OF ADDITION COPOLYMERS FOR PROTECTIVE COATINGS HITACHI CHEMICAL COMPANY, LTD. (JP) 1998-06-30 US disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
EP-0711813-A2 Coating varnish composition and antifouling coating composition Hitachi Chemical Co., Ltd. (JP) 1996-05-15 EP disclosed
US-5294484-A Multilayer element SONY CORPORATION (JP) 1994-03-15 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 (3 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-20070197806-A1 Process for the preparation of furan compounds CBR1, CBR3, POR ALDH1A1 160/4885APP 2586/4885GAA 4722/4885
US-20120270900-A1 NOVEL METHOD OF TREATMENT NAPRT, NAMPT, NNT ALDH1A1 722/4885APP 2223/4885GAA 1028/4885
US-20080308765-A1 Process for Preparing Vinyl Carboxylates MVD, MMAB, CRBN ALDH1A1 1013/4885APP 4840/4885GAA 2478/4885

“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.