SCHEMBL1304947

SCHEMBL1304947

O=C(c1ccc(O)cc1)c1nc2ccccc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.66
HSD17B2 P37059 6/20 0.66
BCL2 P10415 1/20 0.56
MCL1 Q07820 1/20 0.56
BAD Q92934 1/20 0.56
PDE10A Q9Y233 2/20 0.55
GLO1 Q04760 1/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2B6 P20813 2/20 0.53
CYP2C19 P33261 2/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GLA P06280 1/20 0.53

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
SCHEMBL24751 0.88 HSD17B1 (0.62) HSD17B1HSD17B2BCL2MCL1BAD
Bromide SCHEMBL28862925 0.87 HSD17B1 (0.61) HSD17B1HSD17B2BCL2MCL1BAD
SCHEMBL4088536 0.86 HSD17B1 (0.68) HSD17B1HSD17B2BCL2MCL1BAD
SCHEMBL14020417 0.86 HSD17B1 (0.64) HSD17B1HSD17B2BCL2MCL1BAD
SCHEMBL11989060 0.86 HSD17B1 (0.60) HSD17B1HSD17B2BCL2MCL1BAD
SCHEMBL28901460 0.86 HSD17B1 (0.60) HSD17B1HSD17B2BCL2MCL1BAD
SCHEMBL6319718 0.84 ALDH1A1 (0.66) HSD17B1HSD17B2MCL1ALDH1A1NPC1
SCHEMBL30049 0.84 HSD17B1 (0.76) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL14020155 0.84 PDE10A (0.58) HSD17B1HSD17B2BCL2MCL1BAD
SCHEMBL31407 0.83 HSD17B1 (0.79) HSD17B1HSD17B2BCL2MCL1BAD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1063443-C Novel benzothiazole derivatives NIPPON INTERNAL ORGANS PHARMAC (JP) 2001-03-21 CN claimed
US-5900426-A ANTILIPEMIC AGENTS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1999-05-04 US claimed
EP-0735029-B1 Benzothiazole derivatives NIPPON ZOKI PHARMACEUTICAL CO (JP) 1998-06-03 EP claimed
CN-1137524-A Novel benzothiazole derivatives NIPPON INTERNAL ORGANS PHARMAC (JP) 1996-12-11 CN claimed
EP-0735029-A1 Benzothiazole derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1996-10-02 EP claimed
US-8329700-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-12-11 US disclosed
US-8329700-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-12-11 US disclosed
US-8329700-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-12-11 US disclosed
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2012-11-01 US disclosed
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2012-11-01 US disclosed
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2012-11-01 US disclosed
EP-2364308-B1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC (US) 2012-10-24 EP disclosed
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-03 US disclosed
WO-2010057121-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-05-20 WO disclosed
WO-2010057121-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-05-20 WO disclosed
CN-1063443-C Novel benzothiazole derivatives NIPPON INTERNAL ORGANS PHARMAC (JP) 2001-03-21 CN disclosed
US-5900426-A ANTILIPEMIC AGENTS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1999-05-04 US disclosed
EP-0735029-B1 Benzothiazole derivatives NIPPON ZOKI PHARMACEUTICAL CO (JP) 1998-06-03 EP disclosed
CN-1137524-A Novel benzothiazole derivatives NIPPON INTERNAL ORGANS PHARMAC (JP) 1996-12-11 CN disclosed
EP-0735029-A1 Benzothiazole derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1996-10-02 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 (2 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-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A HSD17B1 112/4885HSD17B2 181/4885BCL2 2049/4885
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A HSD17B1 229/4885HSD17B2 366/4885BCL2 3530/4885

“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.