SCHEMBL1255733

SCHEMBL1255733

O=C(Cc1ccncc1)c1ccco1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
POLB P06746 8/20 0.54
MAPT P10636 6/20 0.54
TDP1 Q9NUW8 5/20 0.54
HSD17B10 Q99714 5/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
HPGD P15428 4/20 0.54
RECQL P46063 3/20 0.54
ALOX15 P16050 3/20 0.54
TP53 P04637 2/20 0.54
LMNA P02545 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TSHR P16473 2/20 0.50
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46

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
SCHEMBL1255897 0.85 ERCC5 (0.61) ALDH1A1POLBMAPTTDP1HSD17B10
SCHEMBL17477706 0.80 FNTA (0.53) ALDH1A1POLBMAPTTDP1HSD17B10
SCHEMBL1554024 0.79 ALDH1A1 (0.44) ALDH1A1POLBMAPTTDP1HSD17B10
SCHEMBL3058893 0.79 ALDH1A1 (0.47) ALDH1A1POLBMAPTTDP1HSD17B10
SCHEMBL1257310 0.79 LOXL2 (0.45) ALDH1A1POLBMAPTTDP1HSD17B10
SCHEMBL18807018 0.79 ALDH1A1 (0.58) ALDH1A1POLBMAPTTDP1HSD17B10
SCHEMBL17335796 0.78 PIK3CA (0.51) ALDH1A1POLBMAPTTDP1HSD17B10
SCHEMBL28321405 0.77 SRD5A2 (0.57) ALDH1A1POLBMAPTTDP1HSD17B10
SCHEMBL1257133 0.77 POLB (0.45) ALDH1A1POLBMAPTTDP1HSD17B10
SCHEMBL6490422 0.76 POLB (0.55) ALDH1A1POLBMAPTTDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002283-B1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO LTD (JP) 2017-06-14 EP disclosed
EP-3002283-A1 THIAZOLE DERIVATIVES Kyowa Hakko Kirin Co., Ltd. (JP) 2016-04-06 EP disclosed
EP-1700856-B1 THIAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2015-11-11 EP disclosed
US-8889718-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-11-18 US disclosed
US-20130267509-A1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-10-10 US disclosed
US-8420827-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-04-16 US disclosed
US-20110105486-A1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-05-05 US disclosed
EP-1439175-B1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2011-04-27 EP disclosed
EP-1439175-B1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2011-04-27 EP disclosed
US-7880013-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-02-01 US disclosed
EP-1510222-A2 Medicinal compositions promoting bowel movement Eisai Co. Ltd. (JP) 2005-03-02 EP disclosed
US-20050004149-A1 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
US-20040259865-A1 Pyrimidone compounds and pharmaceutical compositions containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-12-23 US disclosed
EP-1283056-B1 MEDICINAL COMPOSITIONS PROMOTING BOWEL MOVEMENT EISAI CO LTD (JP) 2004-12-15 EP disclosed
EP-1439175-A1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-07-21 EP disclosed
US-6750232-B2 ADENOSINE ANTAGONIST; AN IMPORTANT REGULATORY FACTOR INVOLVED IN VARIOUS INTRACELLULAR METABOLISMS SUCH AS REGULATION OF ENERGY LEVELS EISAI CO., LTD. (JP) 2004-06-15 US disclosed
US-20040006082-A1 2-Aminopyridine compounds and use thereof as drugs EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-01-08 US disclosed
US-20030171383-A1 Medicinal compositions promoting bowel movement EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-09-11 US disclosed
EP-1308441-A1 2-AMINOPYRIDINE COMPOUNDS AND USE THEREOF AS DRUGS Eisai Co., Ltd. (JP) 2003-05-07 EP disclosed
EP-1283056-A1 MEDICINAL COMPOSITIONS PROMOTING BOWEL MOVEMENT Eisai Co., Ltd. (JP) 2003-02-12 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 (6 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-20130267509-A1 THIAZOLE DERIVATIVES THRA, CHD8, CYP2C8 ALDH1A1 1344/4885POLB 4074/4885MAPT 1492/4885
US-20110105486-A1 THIAZOLE DERIVATIVES CHD8, CYP2C8, THRA ALDH1A1 769/4885POLB 3342/4885MAPT 4205/4885
US-20050004149-A1 Pyrimidine compound and medicinal composition thereof ADORA2B, ADORA2A, ADORA3 ALDH1A1 414/4885POLB 1550/4885MAPT 4776/4885
US-20040006082-A1 2-Aminopyridine compounds and use thereof as drugs ADORA1, ADORA2B, ADORA2A ALDH1A1 455/4885POLB 4153/4885MAPT 4394/4885
US-20040259865-A1 Pyrimidone compounds and pharmaceutical compositions containing the same ADORA2A, ADORA1, ADORA3 ALDH1A1 612/4885POLB 919/4885MAPT 4664/4885
US-20030171383-A1 Medicinal compositions promoting bowel movement ADORA2A, ADORA3, ADORA2B ALDH1A1 1026/4885POLB 2093/4885MAPT 4759/4885

“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.