SCHEMBL1658726

SCHEMBL1658726

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MAPT P10636 1/20 0.52
▸ ROCK1 Q13464 9/20 0.48
▸ ROCK2 O75116 6/20 0.48
▸ 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
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ USP2 O75604 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
SCHEMBL1657527 0.89 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTROCK1
SCHEMBL1658324 0.88 ROCK2 (0.56) ALDH1A1MEN1KMT2AMAPTROCK1
SCHEMBL10149777 0.88 MAPT (0.66) ALDH1A1MEN1KMT2AMAPTROCK1
SCHEMBL1658109 0.87 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTROCK1
SCHEMBL1657196 0.86 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTROCK1
SCHEMBL1658339 0.83 KDM4E (0.47) ALDH1A1ROCK1ROCK2CYP1A2CYP2D6
SCHEMBL1658587 0.82 KDM4E (0.57) ALDH1A1KMT2AMAPTROCK1ROCK2
SCHEMBL1660205 0.80 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTROCK1
SCHEMBL1660197 0.79 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTROCK1
SCHEMBL1660187 0.78 ALDH1A1 (0.52) ALDH1A1MAPTROCK1ROCK2CYP1A2

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 ALDH1A1 1621/4885MEN1 4201/4885KMT2A 2850/4885

“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.

Send feedback