SCHEMBL1658020

SCHEMBL1658020

CN1CCN(c2ccc(-c3n[nH]c(=O)c4ccccc34)cc2NC(=O)NC(=O)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ ROCK1 Q13464 5/20 0.50
▸ ROCK2 O75116 3/20 0.50
▸ MAPT P10636 3/20 0.49
▸ WDR5 P61964 4/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ HIF1A Q16665 1/20 0.44

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
SCHEMBL1660205 0.88 ALDH1A1 (0.48) HSD17B10TSHRROCK1ROCK2MAPT
SCHEMBL1657527 0.86 ALDH1A1 (0.59) HSD17B10TSHRROCK1ROCK2MAPT
SCHEMBL1659113 0.86 WDR5 (0.55) HSD17B10TSHRROCK1ROCK2MAPT
SCHEMBL1660083 0.85 ROCK1 (0.46) HSD17B10TSHRROCK1ROCK2WDR5
SCHEMBL1659768 0.85 ALDH1A1 (0.49) HSD17B10TSHRROCK1ROCK2MAPK1
SCHEMBL1658339 0.85 KDM4E (0.47) HSD17B10TSHRROCK1ROCK2WDR5
SCHEMBL1660197 0.83 ALDH1A1 (0.47) HSD17B10TSHRROCK1ROCK2MAPT
SCHEMBL1658420 0.83 ROCK2 (0.53) ROCK1ROCK2MAPTNAMPTKDR
SCHEMBL1658401 0.83 ROCK2 (0.49) HSD17B10TSHRROCK1ROCK2MAPT
SCHEMBL1659114 0.83 ROCK1 (0.56) HSD17B10TSHRROCK1ROCK2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2214667-A2 SMALL MOLECULE INHIBITORS OF PARP ACTIVITY Angion Biomedica Corp. (US) 2010-08-11 — — EP claimed
WO-2009054952-A2 SMALL MOLECULE INHIBITORS OF PARP ACTIVITY ANGION BIOMEDICA CORP. (US) 2009-04-30 — — WO claimed
US-20110098304-A1 Small molecule inhibitors of PARP activity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-04-28 — — US disclosed
EP-2214667-A2 SMALL MOLECULE INHIBITORS OF PARP ACTIVITY Angion Biomedica Corp. (US) 2010-08-11 — — EP disclosed
WO-2009054952-A2 SMALL MOLECULE INHIBITORS OF PARP ACTIVITY ANGION BIOMEDICA CORP. (US) 2009-04-30 — — WO 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-20110098304-A1 Small molecule inhibitors of PARP activity PARP1, PARP11, PARP2 HSD17B10 2567/4885TSHR 4813/4885ROCK1 904/4885

“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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