SCHEMBL6490837

SCHEMBL6490837

COCc1ccc(C(=O)Nc2ccc(NCCc3ccccn3)cc2)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.49
TRPV1 Q8NER1 5/20 0.44
MTTP P55157 2/20 0.42
APOB P04114 1/20 0.42
KDR P35968 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
NR3C1 P04150 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6499759 0.91 SMO (0.52) SMOTRPV1MTTPAPOBKDR
SCHEMBL6488178 0.87 SMO (0.52) SMOTRPV1MTTPAPOBEGLN1
SCHEMBL6501182 0.86 SMO (0.53) SMOTRPV1EGLN1NR3C1
SCHEMBL6501173 0.85 SMO (0.49) SMOTRPV1MTTPAPOBKDR
SCHEMBL6788368 0.85 SMO (0.61) SMOTRPV1MTTPAPOBKDR
SCHEMBL6497765 0.84 SMO (0.51) SMOTRPV1MTTPAPOBNR3C1
SCHEMBL6501416 0.84 SMO (0.51) SMOTRPV1MTTPAPOBKDR
SCHEMBL6498489 0.83 SMO (0.51) SMOTRPV1MTTPAPOBKDR
SCHEMBL6491596 0.83 NPC1 (0.53) SMOTRPV1MTTPAPOBNPC1
SCHEMBL6498051 0.82 SMO (0.49) SMOTRPV1MTTPAPOBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 SMO 2580/4885TRPV1 2245/4885MTTP 677/4885

“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.