SCHEMBL5657175

SCHEMBL5657175

O=[N+]([O-])c1ccc(CSc2ncccn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
HSD17B10 Q99714 1/20 0.58
MAPK1 P28482 1/20 0.57
LMNA P02545 4/20 0.56
ALDH1A1 P00352 2/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
CTSB P07858 1/20 0.54
GFER P55789 2/20 0.54
TP53 P04637 2/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CNR2 P34972 1/20 0.50

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
SCHEMBL5655670 0.83 MAPT (0.68) MAPTLMNAALDH1A1POLBSMN1; SMN2
SCHEMBL11058802 0.83 MAPT (0.68) MAPTLMNAALDH1A1POLBSMN1; SMN2
SCHEMBL28269768 0.82 MAPT (0.72) MAPTLMNAALDH1A1POLBSMN1; SMN2
Bromide SCHEMBL10347222 0.81 MAPT (0.67) MAPTLMNAALDH1A1POLBSMN1; SMN2
SCHEMBL9526422 0.78 SMN1; SMN2 (0.56) MAPTLMNAALDH1A1POLBSMN1; SMN2
SCHEMBL5654152 0.76 MAPT (1.00) MAPTLMNAALDH1A1POLBSMN1; SMN2
SCHEMBL5657358 0.76 MAPT (0.63) MAPTLMNAALDH1A1POLBSMN1; SMN2
SCHEMBL1029180 0.74 HSD17B10 (1.00) MAPTHSD17B10MAPK1ALDH1A1SMN1; SMN2
SCHEMBL3244320 0.74 CYP2C19 (0.63) MAPTLMNAALDH1A1POLBGFER
SCHEMBL1035377 0.74 CYP2C19 (0.81) MAPTLMNAALDH1A1POLBGFER

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 3095/4885HSD17B10 691/4885MAPK1 1752/4885

“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.