SCHEMBL1008553

SCHEMBL1008553

Cc1cccc2c(=O)[nH]ncc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
PARP1 P09874 3/20 0.53
HSD17B10 Q99714 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
PRKCI P41743 1/20 0.53
PDE4B Q07343 1/20 0.53
AR P10275 2/20 0.49
LMNA P02545 2/20 0.48
KDM4A O75164 1/20 0.48
CYP2A6 P11509 2/20 0.44
CYP1A2 P05177 2/20 0.44
KDM4E B2RXH2 3/20 0.41
TSHR P16473 2/20 0.41
CHEK1 O14757 1/20 0.41
TNKS O95271 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.40
TYMS P04818 1/20 0.40
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL31014282 1.00 ALDH1A1 (0.53) ALDH1A1PARP1HSD17B10TDP1PRKCI
SCHEMBL18333501 0.84 ALDH1A1 (0.50) ALDH1A1PARP1HSD17B10TDP1PRKCI
SCHEMBL27251533 0.78 HSD17B10 (0.50) ALDH1A1PARP1HSD17B10TDP1PRKCI
SCHEMBL29987827 0.77 NOS1 (0.58) ALDH1A1PARP1HSD17B10TDP1PRKCI
SCHEMBL16098816 0.77 NOS1 (0.58) ALDH1A1PARP1HSD17B10TDP1PRKCI
SCHEMBL30142230 0.77 PARP1 (0.53) ALDH1A1PARP1HSD17B10TDP1PRKCI
SCHEMBL14911633 0.77 NOS1 (0.58) ALDH1A1PARP1HSD17B10TDP1PRKCI
SCHEMBL1009337 0.77 HSD17B10 (0.53) ALDH1A1PARP1HSD17B10TDP1PRKCI
SCHEMBL1261836 0.77 PARP1 (0.53) ALDH1A1PARP1HSD17B10TDP1PRKCI
SCHEMBL29655001 0.77 HSD17B10 (0.53) ALDH1A1PARP1HSD17B10TDP1PRKCI

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3331872-B1 NOVEL SUBSTITUTED GLYCINE DERIVED FXIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-09-25 EP disclosed
WO-2017023992-A1 NOVEL SUBSTITUTED GLYCINE DERIVED FXIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-09 WO disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
EP-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 US 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 ALDH1A1 338/4885PARP1 1/4885HSD17B10 1292/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK ALDH1A1 1059/4885PARP1 3270/4885HSD17B10 826/4885

“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.