SCHEMBL704854

SCHEMBL704854

Fc1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
NOTUM Q6P988 2/20 0.42
IDO1 P14902 2/20 0.42
HPGDS O60760 2/20 0.42
PIN1 Q13526 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
GRK6 P43250 1/20 0.40
TAAR1 Q96RJ0 2/20 0.40
ESR2 Q92731 1/20 0.40
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL16720765 0.87 MAPT (0.42) MGAMGAASIMGAM2NOTUM
SCHEMBL12761250 0.86 GP6 (0.37) GAAIDO1KDM4ELMNATP53
SCHEMBL732981 0.80 IDO1 (0.40) MGAMGAASIMGAM2NOTUM
SCHEMBL4655029 0.79 GP6 (0.49) GAAKDM4ENISCHMAPTRXFP1
SCHEMBL21067860 0.78 KMT2A (0.58) KDM4ETP53MAPTNFKB1NFKB2
SCHEMBL513232 0.78 ALDH1A1 (0.44) NOTUMIDO1PIN1NISCHGRK6
SCHEMBL859970 0.78 HSD17B1 (0.52) MGAMGAASIMGAM2ESR2
SCHEMBL1109610 0.78 ENPP2 (0.32) IDO1
SCHEMBL2644693 0.78 ENPP2 (0.32) IDO1
SCHEMBL13113241 0.78 ENPP2 (0.32) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11932595-B2 VDR-silent vitamin D derivative as inhibitors of SREBP and pharmaceutical use thereof KYOTO UNIVERSITY, NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY, TEIKYO UNIVERSITY and THE UNIVERSITY OF TOKYO (JP) 2024-03-19 US disclosed
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
WO-2022061193-A1 VDR-SILENT VITAMIN D DERIVATIVE AS INHIBITORS OF SREBP AND PHARMACEUTICAL USE THEREOF KYOTO UNIVERSITY (JP) 2022-03-24 WO disclosed
US-20220081381-A1 VDR-SILENT VITAMIN D DERIVATIVE AS INHIBITORS OF SREBP AND PHARMACEUTICAL USE THEREOF KYOTO UNIVERSITY (JP) 2022-03-17 US disclosed
WO-2017175066-A1 HETEROCYCLIC GPR119 AGONIST COMPOUNDS MANKIND PHARMA LTD. (IN) 2017-10-12 WO disclosed
WO-2012166891-A2 MU-OPIOID RECEPTOR BINDING COMPOUNDS ALGYNOMICS INC. (US) 2012-12-06 WO disclosed
US-8124584-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-7943645-B2 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2011-05-17 US disclosed
EP-1809620-B1 NOVEL TETRAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-12-29 EP disclosed
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS MIAO ZHENWEI 2009-12-10 US disclosed
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-07-14 US disclosed
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2004-10-28 US disclosed
WO-2004072243-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-08-26 WO disclosed
EP-1406897-A2 COMPOUNDS SmithKline Beecham plc (GB) 2004-04-14 EP disclosed
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
WO-2003002559-A2 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. (GB) 2003-01-09 WO disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 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 (5 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-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 MGAM 2360/4885GAA 694/4885SI 59/4885
US-11932595-B2 VDR-silent vitamin D derivative as inhibitors of SREBP and pharmaceutical use thereof VDR, CYP24A1, CYP2R1 MGAM 3461/4885GAA 2281/4885SI 223/4885
US-20220081381-A1 VDR-SILENT VITAMIN D DERIVATIVE AS INHIBITORS OF SREBP AND PHARMACEUTICAL USE THEREOF VDR, CYP24A1, CYP2R1 MGAM 3461/4885GAA 2281/4885SI 223/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR MGAM 4852/4885GAA 3318/4885SI 4585/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 MGAM 2500/4885GAA 699/4885SI 69/4885

“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.