SCHEMBL1658801

SCHEMBL1658801

Nc1ccccc1N1CCN(c2ccc(-c3n[nH]c(=O)c4ccccc34)cc2N)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
POLB P06746 1/20 0.64
GAA P10253 1/20 0.64
MAPT P10636 1/20 0.64
ALOX15 P16050 1/20 0.64
HSD17B10 Q99714 1/20 0.64
LMNA P02545 2/20 0.60
TSHR P16473 1/20 0.60
ROCK2 O75116 10/20 0.51
ROCK1 Q13464 8/20 0.51
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
KMT2A Q03164 1/20 0.45
HTT P42858 2/20 0.44
MAPK1 P28482 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
SCHEMBL12909290 0.91 POLB (0.65) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL1658864 0.91 ALDH1A1 (0.61) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL10149736 0.90 POLB (0.64) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL10149809 0.90 POLB (0.64) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL1659111 0.89 KDM4E (0.62) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL1658238 0.89 KDM4E (0.58) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL1658587 0.88 KDM4E (0.57) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL1658177 0.88 ALDH1A1 (0.57) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL1658319 0.88 KDM4E (0.57) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL1657467 0.88 ALDH1A1 (0.57) 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 4 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
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 1621/4885POLB 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.