SCHEMBL4989264

SCHEMBL4989264

COc1ccc(-c2ccccc2C(=O)Nc2ccc3ccccc3n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
POLB P06746 1/20 0.58
NPC1 O15118 8/20 0.58
RAB9A P51151 8/20 0.58
CASP3 P42574 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MTTP P55157 3/20 0.52
ACP1 P24666 1/20 0.50
PDE10A Q9Y233 1/20 0.50
ADORA3 P0DMS8 1/20 0.48
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL4984530 0.87 MTTP (0.55) POLBNPC1RAB9ACASP3SENP7
SCHEMBL4981762 0.87 MTTP (0.54) GAAPOLBNPC1RAB9ACASP3
SCHEMBL4988527 0.87 MTTP (0.66) GAAPOLBNPC1RAB9ACASP3
SCHEMBL4982086 0.86 NPC1 (0.67) POLBNPC1RAB9ACASP3SENP7
SCHEMBL4987813 0.86 MTTP (0.62) GAAPOLBMTTPADORA3
SCHEMBL4982631 0.83 MTTP (0.62) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL4983515 0.83 NPC1 (0.60) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL4984060 0.83 NPC1 (0.56) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL4982077 0.83 NPC1 (0.51) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL4984625 0.81 MTTP (0.55) NPC1RAB9ACASP3SENP7SENP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 US disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 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-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN GAA 579/4885POLB 904/4885NPC1 32/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 GAA 671/4885POLB 922/4885NPC1 32/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 GAA 671/4885POLB 922/4885NPC1 32/4885

“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.