SCHEMBL6215399

SCHEMBL6215399

O=C(Nc1nnc(-c2ccccc2)s1)Oc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.60
RAB9A P51151 8/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
ALDH1A1 P00352 3/20 0.60
POLB P06746 1/20 0.60
MIF P14174 1/20 0.60
RXFP1 Q9HBX9 1/20 0.58
KDM4E B2RXH2 5/20 0.57
GLS O94925 1/20 0.57
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
GAA P10253 1/20 0.55
RCE1 Q9Y256 1/20 0.55
USP2 O75604 1/20 0.53
CSNK2A2 P19784 1/20 0.52
CSNK2A1 P68400 1/20 0.52
CCNE1 P24864 1/20 0.52

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
SCHEMBL8143171 0.92 KDM4E (0.64) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL27821589 0.88 RAB9A (0.58) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL2421423 0.84 KDM4E (0.75) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL13499907 0.83 KMT2A (0.61) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL15515850 0.83 KDM4E (0.60) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL31030144 0.82 ALDH1A1 (0.54) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL8142656 0.82 NPC1 (0.52) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL5332558 0.82 ALDH1A1 (0.64) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL9156058 0.82 ALDH1A1 (0.60) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL3828303 0.80 NPC1 (0.71) NPC1RAB9AKMT2AMEN1ALDH1A1

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
EP-1054876-A1 1,3,4-THIADIAZOLES DERIVATIVES AS KYN-OH INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 2000-11-29 EP claimed
WO-1999028309-A1 1,3,4-THIADIAZOLES DERIVATIVES AS KYN-OH INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1999-06-10 WO claimed
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2014-02-06 US disclosed
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2014-02-06 US disclosed
CN-101128427-B Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB 2013-03-27 CN disclosed
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-7906645-B2 Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2011-03-15 US disclosed
US-7906645-B2 Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2011-03-15 US disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 US disclosed
EP-1129089-A4 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-22 EP disclosed
US-6495559-B2 FOR THERAPY OF OBESITY MERCK & CO., INC. 2002-12-17 US disclosed
US-20020058813-A1 Spiro-indolines as Y5 receptor antagonists MSD K.K. (JP) 2002-05-16 US disclosed
US-6313298-B1 OBESITY, DIETETICS; NEUROPEPTIDE Y ANTAGONISTS MERCK & CO., INC. 2001-11-06 US disclosed
EP-1129089-A1 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2001-09-05 EP disclosed
US-6191160-B1 DIETETICS MERCK & CO., INC. 2001-02-20 US disclosed
EP-1054876-A1 1,3,4-THIADIAZOLES DERIVATIVES AS KYN-OH INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 2000-11-29 EP disclosed
WO-2000027845-A1 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 WO disclosed
WO-1999028309-A1 1,3,4-THIADIAZOLES DERIVATIVES AS KYN-OH INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1999-06-10 WO 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 (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-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 NPC1 1260/4885RAB9A 3914/4885KMT2A 3450/4885
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS CCR2, CCR3, CXCR2 NPC1 1658/4885RAB9A 4068/4885KMT2A 3297/4885
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists CCR2, CCR3, CXCR2 NPC1 1577/4885RAB9A 4032/4885KMT2A 3262/4885
US-20020058813-A1 Spiro-indolines as Y5 receptor antagonists NPY5R, NPY1R, NPY2R NPC1 3050/4885RAB9A 2439/4885KMT2A 3705/4885

“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.