SCHEMBL1658104

SCHEMBL1658104

Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1N1CCN(Cc2ccncc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ROCK2 O75116 11/20 0.50
ROCK1 Q13464 10/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
NAMPT P43490 3/20 0.43
PRMT1 Q99873 1/20 0.42
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
PARP4 Q9UKK3 1/20 0.41
PARP3 Q9Y6F1 1/20 0.41

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
SCHEMBL1657138 0.93 ROCK2 (0.58) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL1658243 0.89 KDM4E (0.51) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL1657467 0.88 ALDH1A1 (0.57) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL1658238 0.84 KDM4E (0.58) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL1658801 0.84 KDM4E (0.64) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL1658362 0.83 ALDH1A1 (0.52) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL12909290 0.83 POLB (0.65) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL1658774 0.82 ALDH1A1 (0.56) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL1658864 0.82 ALDH1A1 (0.61) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL10149809 0.82 POLB (0.64) KDM4EALDH1A1POLBGAAMAPT

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 2 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 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

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 1621/4885POLB 52/4885

“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.