SCHEMBL5654150

SCHEMBL5654150

O=[N+]([O-])c1ccc(SCc2cccnc2)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
RAB9A P51151 1/20 0.53
POLB P06746 2/20 0.50
CCR2 P41597 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.47
PKM P14618 1/20 0.47
PDE7A Q13946 1/20 0.46
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP19A1 P11511 2/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
SLC29A1 Q99808 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
SCHEMBL6197626 0.85 ALDH1A1 (0.56) MAPTPOLBSMN1; SMN2PKMPDE7A
SCHEMBL5657054 0.79 CCR2 (0.49) RAB9APOLBCCR2SMN1; SMN2ALDH1A1
SCHEMBL5658063 0.74 MAPT (0.61) MAPTRAB9APOLBSMN1; SMN2PKM
SCHEMBL3712809 0.72 PDE7A (0.54) MAPTPOLBCCR2PDE7AALDH1A1
SCHEMBL28995332 0.72 PDE7A (0.54) MAPTPOLBPKMPDE7AALDH1A1
SCHEMBL27895137 0.72 PDE7A (0.73) MAPTPOLBPDE7AALDH1A1GAA
SCHEMBL27912299 0.71 PDE7A (0.59) MAPTPOLBPKMPDE7AALDH1A1
SCHEMBL177650 0.71 PDE7A (0.71) MAPTPOLBSMN1; SMN2PDE7AALDH1A1
SCHEMBL1818074 0.71 MEN1 (0.50) MAPTPOLBSMN1; SMN2PKMALDH1A1
SCHEMBL11820878 0.71 GSTP1 (0.47) MAPTRAB9APOLBSMN1; SMN2PDE7A

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 MAPT 3095/4885RAB9A 2546/4885POLB 3578/4885

“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.