SCHEMBL6501173

SCHEMBL6501173

COc1cc(C(=O)Nc2ccc(NCCc3ccccn3)cc2)c(-c2ccc(C(F)(F)F)cc2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.49
IRAK4 Q9NWZ3 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TRPV1 Q8NER1 4/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
MTTP P55157 2/20 0.44
APOB P04114 1/20 0.44
NR3C1 P04150 2/20 0.44
DHODH Q02127 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL6488096 0.90 NPC1 (0.49) IRAK4NPC1RAB9AMAPT
SCHEMBL6491596 0.89 NPC1 (0.53) SMOIRAK4NPC1RAB9ATRPV1
SCHEMBL6497765 0.88 SMO (0.51) SMOTRPV1MTTPAPOBNR3C1
SCHEMBL6498489 0.87 SMO (0.51) SMOTRPV1MAPTMTTPAPOB
SCHEMBL6498051 0.86 SMO (0.49) SMONPC1RAB9ATRPV1MTTP
SCHEMBL6488763 0.86 MTTP (0.51) SMOIRAK4NPC1RAB9ATRPV1
SCHEMBL6488178 0.86 SMO (0.52) SMOTRPV1MTTPAPOBNR3C1
SCHEMBL6497909 0.86 SMO (0.52) SMOTRPV1MTTPAPOBNR3C1
SCHEMBL6490837 0.85 SMO (0.49) SMONPC1RAB9ATRPV1MAPT
SCHEMBL6488795 0.85 SMO (0.50) SMONPC1RAB9ATRPV1MTTP

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 2580/4885IRAK4 2963/4885NPC1 100/4885

“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.