SCHEMBL4984530

SCHEMBL4984530

CCOc1ccc(-c2ccccc2C(=O)Nc2ccc3ccccc3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTTP P55157 3/20 0.55
NPC1 O15118 11/20 0.53
RAB9A P51151 11/20 0.53
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
TP53 P04637 4/20 0.47
PDE10A Q9Y233 1/20 0.47
MAPT P10636 3/20 0.47
PRNP P04156 1/20 0.47
THRB P10828 1/20 0.47
POLB P06746 1/20 0.46
MAPK1 P28482 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
SCHEMBL4989264 0.87 GAA (0.58) MTTPNPC1RAB9ACASP3SENP7
SCHEMBL4982077 0.87 NPC1 (0.51) MTTPNPC1RAB9ACASP3SENP7
SCHEMBL4987301 0.87 MTTP (0.64) MTTP
SCHEMBL4984060 0.85 NPC1 (0.56) MTTPNPC1RAB9ACASP3SENP7
SCHEMBL4981762 0.84 MTTP (0.54) MTTPNPC1RAB9ACASP3SENP7
SCHEMBL4988527 0.84 MTTP (0.66) MTTPNPC1RAB9ACASP3SENP7
SCHEMBL4982086 0.83 NPC1 (0.67) MTTPNPC1RAB9ACASP3SENP7
SCHEMBL4984625 0.83 MTTP (0.55) MTTPNPC1RAB9ACASP3SENP7
SCHEMBL5010040 0.81 MTTP (0.60) MTTP
SCHEMBL27734021 0.81 NPC1 (0.60) NPC1RAB9AMEN1KMT2ACASP3

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 MTTP 9/4885NPC1 32/4885RAB9A 1687/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 MTTP 7/4885NPC1 32/4885RAB9A 2095/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 MTTP 7/4885NPC1 32/4885RAB9A 2095/4885

“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.