SCHEMBL6504077

SCHEMBL6504077

CC(=O)Nc1cc(NC(=O)c2ccc(C)cc2-c2ccc(C(F)(F)F)cc2)ccc1OCCc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.48
MTTP P55157 5/20 0.43
APOB P04114 3/20 0.43
NR3C1 P04150 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SYK P43405 1/20 0.40
HTT P42858 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL6789334 0.92 SMO (0.56) SMOMTTPAPOBKDM4EHPGD
SCHEMBL6492227 0.89 SMO (0.49) SMOMTTPAPOBNR3C1TRPV1
SCHEMBL6490917 0.86 TRPV1 (0.47) SMOMTTPAPOBNR3C1ALDH1A1
SCHEMBL6490835 0.86 SMO (0.50) SMOMTTPAPOBNR3C1TRPV1
SCHEMBL6497088 0.86 HTR2C (0.51) SMOMTTPAPOBNR3C1TRPV1
SCHEMBL7083798 0.82 GRM4 (0.44) SMOKDM4EHPGDCYP1A2CYP2C9
SCHEMBL6488178 0.82 SMO (0.52) SMOMTTPAPOBNR3C1TRPV1
SCHEMBL6795346 0.81 SMO (0.59) SMOMTTPAPOBTRPV1
SCHEMBL6502553 0.81 SMO (0.51) SMOMTTPAPOBNR3C1TRPV1
SCHEMBL6497042 0.80 SMO (0.49) SMOMTTPAPOBNR3C1TRPV1

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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO 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 2580/4885MTTP 677/4885APOB 1/4885

“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.