SCHEMBL1658401

SCHEMBL1658401

CN1CCN(c2ccc(-c3n[nH]c(=O)c4ccccc34)cc2NC(=O)NC2CCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 7/20 0.49
▸ ROCK1 Q13464 5/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ TSHR P16473 3/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ NAMPT P43490 2/20 0.44
▸ AURKB Q96GD4 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL1660509 0.99 ROCK2 (0.48) ROCK2ROCK1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL1660205 0.87 ALDH1A1 (0.48) ROCK2ROCK1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL1657242 0.87 SMN1; SMN2 (0.61) ROCK2ROCK1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL1658551 0.85 ROCK2 (0.55) ROCK2ROCK1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL1657527 0.85 ALDH1A1 (0.59) ROCK2ROCK1ALDH1A1NPSR1CYP1A2
SCHEMBL1659768 0.85 ALDH1A1 (0.49) ROCK2ROCK1ALDH1A1NPSR1CYP1A2
SCHEMBL1660083 0.85 ROCK1 (0.46) ROCK2ROCK1ALDH1A1NPSR1CYP1A2
SCHEMBL1658339 0.84 KDM4E (0.47) ROCK2ROCK1ALDH1A1NPSR1CYP1A2
SCHEMBL1658020 0.83 HSD17B10 (0.53) ROCK2ROCK1ALDH1A1NPSR1CYP1A2
SCHEMBL1660197 0.83 ALDH1A1 (0.47) ROCK2ROCK1SMN1; SMN2ALDH1A1NPSR1

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 ROCK2 1184/4885ROCK1 904/4885SMN1; SMN2 3028/4885

“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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