SCHEMBL6501182

SCHEMBL6501182

O=C(Nc1ccc(NCCc2ccccn2)cc1)c1ccc(Cl)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.53
P2RX1 P51575 1/20 0.51
P2RX4 Q99571 1/20 0.51
P2RX7 Q99572 1/20 0.51
TMPRSS4 Q9NRS4 1/20 0.51
GCGR P47871 1/20 0.51
CNR1 P21554 1/20 0.49
NR3C1 P04150 2/20 0.49
TRPV1 Q8NER1 6/20 0.48
EGLN1 Q9GZT9 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL6492656 0.94 SMO (0.53) SMOP2RX1P2RX4P2RX7TMPRSS4
SCHEMBL6497806 0.92 CNR1 (0.57) GCGRCNR1NR3C1KDM4EGAA
SCHEMBL6488178 0.90 SMO (0.52) SMONR3C1TRPV1EGLN1
SCHEMBL6499759 0.90 SMO (0.52) SMONR3C1TRPV1EGLN1
SCHEMBL6788368 0.89 SMO (0.61) SMONR3C1TRPV1EGLN1
SCHEMBL6496376 0.89 CNR1 (0.51) GCGRCNR1NR3C1KDM4EGAA
SCHEMBL6498489 0.88 SMO (0.51) SMOGCGRNR3C1TRPV1EGLN1
SCHEMBL6497765 0.87 SMO (0.51) SMONR3C1TRPV1
SCHEMBL6488474 0.86 CNR1 (0.57) GCGRCNR1NR3C1KDM4EGAA
SCHEMBL6497671 0.86 CNR1 (0.48) GCGRCNR1KDM4EGAA

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 2580/4885P2RX1 2163/4885P2RX4 3521/4885

“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.