SCHEMBL1658336

SCHEMBL1658336

Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1N1CCN(CC2CCCO2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.51
TSHR P16473 2/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ROCK1 Q13464 5/20 0.43
CTSD P07339 1/20 0.42
ALOX5AP P20292 1/20 0.41
HPGD P15428 1/20 0.41
ROCK2 O75116 7/20 0.40
LRRK2 Q5S007 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL1659090 0.86 KDM4E (0.55) TSHRKDM4ELMNAALDH1A1POLB
SCHEMBL1657432 0.85 KDM4E (0.52) TSHRKDM4ELMNAALDH1A1POLB
SCHEMBL12909290 0.81 POLB (0.65) TSHRKDM4ELMNAALDH1A1POLB
SCHEMBL1658238 0.80 KDM4E (0.58) TSHRKDM4ELMNAALDH1A1POLB
SCHEMBL1658801 0.80 KDM4E (0.64) TSHRKDM4ELMNAALDH1A1POLB
SCHEMBL10149809 0.80 POLB (0.64) TSHRKDM4ELMNAALDH1A1POLB
SCHEMBL10149736 0.80 POLB (0.64) TSHRKDM4ELMNAALDH1A1POLB
SCHEMBL1659183 0.80 KDM4E (0.55) TSHRKDM4ELMNAALDH1A1POLB
SCHEMBL1658319 0.80 KDM4E (0.57) TSHRKDM4ELMNAALDH1A1POLB
SCHEMBL10149810 0.79 GAA (0.60) TSHRKDM4ELMNAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MITF 4548/4885TSHR 4813/4885KDM4E 3283/4885

“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.