SCHEMBL2069480

SCHEMBL2069480

O=c1[nH]nccc1C1=Cc2ccccc2ON1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3131316 0.75 DRD2 (0.34) NISCHKDM4ELMNATDP1
SCHEMBL3074957 0.73 ALOX5 (0.37) NISCH
SCHEMBL9729916 0.72 TLK2 (0.31)
SCHEMBL29244396 0.69 NISCH (0.33) NISCH
SCHEMBL1456892 0.69 HCAR2 (0.41) LMNATDP1
SCHEMBL28143327 0.68 NPC1 (0.36) NISCHKDM4ELMNA
SCHEMBL2446923 0.67 KDM4E (0.43) NISCHKDM4ELMNATDP1
SCHEMBL2596889 0.67 ALDH1A1 (0.32) LMNA
SCHEMBL918364 0.67 SCN4A (0.52) LMNA
Hydrochloric Acid SCHEMBL30014721 0.65 SCN4A (0.50) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
EP-1732541-A4 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-03-05 EP disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US disclosed
EP-1732541-A2 CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2005099688-A2 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-27 WO disclosed
US-5221742-A PROCESS FOR THE PREPARATION OF 6-(3,4-DIHYDRO-3-OXO-1,4(2H)-BENZOXAZIN-7-YL)-2,3,4,5-TETRAHYDROPYRIDAZIN-3-ONES ORTHO PHARMACEUTICAL CORPORATION (US) 1993-06-22 US disclosed
WO-1992011256-A1 PROCESS FOR THE PREPARATION OF BENZOXAZINYLTETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1992-07-09 WO disclosed
US-4721784-A MUSCLE RELAXANTS, BRONCHODILATOR AGENTS, CARDIOTONIC AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-01-26 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 (1 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-20070179165-A1 Cyclic compounds CRHR1, CRHR2, MC2R NISCH 3286/4885KDM4E 3537/4885LMNA 3131/4885

“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.