SCHEMBL5655331

SCHEMBL5655331

O=C(c1ccc(F)cc1)c1ccc(Cl)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 1/20 0.53
VNN1 O95497 1/20 0.50
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
NPC1 O15118 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
LTA4H P09960 1/20 0.46
P4HTM Q9NXG6 3/20 0.45
MAOB P27338 1/20 0.44
CNR2 P34972 1/20 0.44
F2 P00734 1/20 0.44
PLAU P00749 1/20 0.44
KLKB1 P03952 1/20 0.44
ELANE P08246 1/20 0.44
HSD17B14 Q9BPX1 1/20 0.43
KCNQ3 O43525 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
SCHEMBL18797487 0.86 RAB9A (0.46) LTC4SVNN1LMNARAB9AKMT2A
SCHEMBL27477768 0.83 KDM4E (0.50) LMNARAB9ASMN1; SMN2HSD17B1HSD17B2
SCHEMBL13714933 0.82 KMT2A (0.56) LTC4SRAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL10815017 0.81 MAOB (0.55) RAB9ASMN1; SMN2NPC1P4HTMMAOB
SCHEMBL29780090 0.81 HSD17B1 (0.52) LTC4SRAB9AHSD17B1HSD17B2NPC1
SCHEMBL18821329 0.81 HSD17B1 (0.52) LTC4SRAB9AHSD17B1HSD17B2NPC1
SCHEMBL9663049 0.81 CES2 (0.44) LTC4SVNN1LMNARAB9AKMT2A
SCHEMBL20474681 0.81 NPC1 (0.47) LTC4SLMNARAB9ASMN1; SMN2HSD17B1
SCHEMBL12975466 0.80 VNN1 (0.47) LTC4SVNN1RAB9ASMN1; SMN2HSD17B1
SCHEMBL5655820 0.79 KDM4E (0.56) LTC4SLMNARAB9ASMN1; SMN2HSD17B1

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-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 LTC4S 2354/4885VNN1 3470/4885LMNA 753/4885

“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.