SCHEMBL1658339

SCHEMBL1658339

CC(C)C(=O)Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1N1CCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ ROCK2 O75116 6/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ROCK1 Q13464 10/20 0.46
▸ TSHR P16473 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ WDR5 P61964 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 0.89 ALDH1A1 (0.48) KDM4EALDH1A1ROCK2NAMPTCYP1A2
SCHEMBL1657527 0.89 ALDH1A1 (0.59) ALDH1A1ROCK2NAMPTCYP1A2CYP2D6
SCHEMBL1660083 0.87 ROCK1 (0.46) ALDH1A1ROCK2NAMPTCYP1A2CYP2D6
SCHEMBL1659768 0.87 ALDH1A1 (0.49) ALDH1A1ROCK2NAMPTCYP1A2CYP2D6
SCHEMBL1660197 0.86 ALDH1A1 (0.47) KDM4EALDH1A1ROCK2NAMPTCYP1A2
SCHEMBL1660187 0.86 ALDH1A1 (0.52) ALDH1A1ROCK2NAMPTCYP1A2CYP2D6
SCHEMBL1658551 0.86 ROCK2 (0.55) ALDH1A1ROCK2NAMPTCYP1A2CYP2D6
SCHEMBL1658353 0.86 MAPKAPK2 (0.49) ALDH1A1ROCK2NAMPTCYP1A2CYP2D6
SCHEMBL1658431 0.86 MAPT (0.47) ALDH1A1ROCK2NAMPTCYP1A2CYP2D6
SCHEMBL1658020 0.85 HSD17B10 (0.53) ALDH1A1ROCK2NAMPTCYP1A2CYP2D6

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 KDM4E 3283/4885ALDH1A1 1621/4885ROCK2 1184/4885

“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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