SCHEMBL3356786

SCHEMBL3356786

O=c1cc[nH]c2cc[c]cc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ CCR8 P51685 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.40
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ PARP1 P09874 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ AHR P35869 1/20 0.31
▸ RHEB Q15382 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL3353001 0.84 ALDH1A1 (0.48) ALDH1A1CCR8KMT2AHSD17B10ADORA2A
SCHEMBL4461828 0.73 GPR84 (0.32) —
SCHEMBL10031 0.70 ALDH1A1 (0.55) ALDH1A1CCR8KMT2AHSD17B10PARP1
SCHEMBL23566 0.70 — —
SCHEMBL4459584 0.69 MPO (0.33) KMT2A
SCHEMBL928747 0.69 ATM (0.52) —
SCHEMBL12004855 0.69 ALDH1A1 (0.36) ALDH1A1HSD17B10PARP1KDM4E
SCHEMBL1337678 0.69 HTR1A (0.38) ALDH1A1KMT2AHSD17B10KDM4EAHR
SCHEMBL2125950 0.69 F7 (0.50) ALDH1A1KMT2AHSD17B10KDM4ECYP1A2
SCHEMBL1122664 0.69 CYP2A6 (0.56) ALDH1A1KMT2AKDM4ECYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 — — US claimed
EP-0751944-B1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2000-12-20 — — EP claimed
US-5955481-A Pyridine type thiazolidines NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-21 — — US claimed
EP-0751944-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-01-08 — — EP claimed
WO-1995026347-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-05 — — WO claimed
US-7696195-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 — — US disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 — — US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 — — US disclosed
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 — — US disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 — — US disclosed
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 — — EP disclosed
EP-0934937-B1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMA CO LTD (JP) 2002-02-27 — — EP disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 — — EP disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 — — US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 — — US disclosed
EP-0751944-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-01-08 — — EP disclosed
WO-1996026207-A1 THIAZOLIDINE AND OXAZOLIDINE INDOLES WITH HYPOCLYCEMIC ACTIVITY NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-29 — — WO disclosed
WO-1996011196-A1 PYRAZOLYLMETHYL-THIAZOLIDINES USEFUL AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-18 — — WO disclosed
WO-1995026347-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-05 — — WO disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 — — 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 (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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 ALDH1A1 2299/4885CCR8 618/4885KMT2A 2410/4885
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA ALDH1A1 1559/4885CCR8 899/4885KMT2A 4757/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 ALDH1A1 2299/4885CCR8 618/4885KMT2A 2410/4885

“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.

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