SCHEMBL665267

SCHEMBL665267

c1ccc2[nH]c(C3CCCN(C4CCCCC4)CC3)nc2c1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.59
HTR2B P41595 5/20 0.57
PKM P14618 1/20 0.54
POLB P06746 2/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL663064 0.99 PARP1 (0.60) PARP1HTR2BPKMPOLBKDM4E
SCHEMBL664849 0.92 PKM (0.58) PARP1HTR2BPKMALDH1A1TSHR
SCHEMBL740834 0.90 POLB (0.53) PARP1HTR2BPKMPOLBKDM4E
SCHEMBL664093 0.88 PARP1 (0.58) PARP1HTR2BPKMPOLBKDM4E
SCHEMBL665139 0.87 PARP1 (0.60) PARP1HTR2BPKMPOLBKDM4E
SCHEMBL6757201 0.85 NPC1 (0.62) HTR2BPOLBKDM4E
SCHEMBL724921 0.85 NPC1 (0.62) HTR2BPOLBKDM4E
SCHEMBL664232 0.84 PARP1 (0.57) PARP1HTR2BPKMPOLBKDM4E
SCHEMBL665174 0.84 PARP1 (0.56) PARP1HTR2BPKM
SCHEMBL6756134 0.83 NPC1 (0.59) HTR2BPOLBKDM4EKMT2A

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-20120045524-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBOTT LABORATORIES (US) 2012-02-23 US disclosed
US-20110152336-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110151023-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBOTT LABORATORIES (US) 2011-06-23 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 (3 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-20110151023-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTR2B 1566/4885PKM 450/4885
US-20110152336-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTR2B 1566/4885PKM 450/4885
US-20120045524-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTR2B 1566/4885PKM 450/4885

“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.