SCHEMBL5657604

SCHEMBL5657604

CCn1nnnc1CSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 7/20 0.41
MAPT P10636 6/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 4/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 1/20 0.36
PTK2 Q05397 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL5654058 0.86 CYP1A2 (0.45) NPC1ALDH1A1MAPTPOLBLMNA
SCHEMBL4825713 0.80 ALDH1A1 (0.49) NPC1ALDH1A1MAPTPOLBLMNA
SCHEMBL5654634 0.79 ALDH1A1 (0.40) NPC1ALDH1A1MAPTPOLBLMNA
SCHEMBL5657158 0.74 ALDH1A1 (0.41) ALDH1A1MAPTPOLBLMNAMEN1
SCHEMBL5656182 0.70 MAPT (0.45) ALDH1A1MAPTPOLBLMNAMEN1
SCHEMBL2026375 0.69 MAPT (0.51) ALDH1A1MAPTPOLBLMNAMEN1
Methane SCHEMBL27642737 0.68 MAPT (0.50) ALDH1A1MAPTPOLBLMNAMEN1
SCHEMBL7823769 0.68 POLB (0.49) NPC1ALDH1A1MAPTPOLBLMNA
SCHEMBL5656651 0.68 ALDH1A1 (0.42) ALDH1A1MAPTPOLBLMNAMEN1
SCHEMBL8811170 0.67 MAPT (0.58) ALDH1A1MAPTPOLBLMNAMEN1

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 NPC1 2059/4885ALDH1A1 519/4885MAPT 3095/4885

“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.