SCHEMBL4159437

SCHEMBL4159437

O=C(c1cccc2cccnc12)N1Cc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.54
ALDH1A1 P00352 5/20 0.53
HPGD P15428 3/20 0.53
HTT P42858 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 1/20 0.53
HCRTR1 O43613 2/20 0.52
HCRTR2 O43614 2/20 0.52
HSP90AA1 P07900 4/20 0.49
HSP90AB1 P08238 2/20 0.49
HSP90B1 P14625 2/20 0.49
TRAP1 Q12931 2/20 0.49
AURKA O14965 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CCNA1 P78396 1/20 0.48
LMNA P02545 2/20 0.48
ALOX12 P18054 1/20 0.48
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46

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
SCHEMBL2143724 0.85 ALDH1A1 (0.58) ALDH1A1HPGDHTTKDM4EHSD17B10
SCHEMBL6986212 0.81 MAPT (0.59) PARP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6984881 0.78 GRM4 (0.54) PARP1ALDH1A1HTTKDM4EHCRTR1
SCHEMBL2143763 0.77 PRMT5 (0.58) ALDH1A1HPGDHTTKDM4EHSD17B10
SCHEMBL3281765 0.76 MYC (0.49) PARP1ALDH1A1HPGDHTTKDM4E
SCHEMBL16735636 0.75 HSP90AA1 (0.62) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL2144202 0.75 HSP90AA1 (0.55) ALDH1A1HPGDHTTKDM4EHSP90AA1
SCHEMBL5616088 0.74 HTT (0.59) ALDH1A1HPGDHTTKDM4EHSD17B10
SCHEMBL3281405 0.74 HDAC6 (0.50) ALDH1A1HPGDHTTKDM4EHSD17B10
SCHEMBL28050846 0.73 PARP1 (0.72) PARP1ALDH1A1HPGDHTTKDM4E

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-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US disclosed
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US disclosed
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 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-20090215742-A1 AMIDE RESORCINOL COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P PARP1 4089/4885ALDH1A1 678/4885HPGD 1069/4885

“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.