SCHEMBL5656182

SCHEMBL5656182

Cn1nnc(CSc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
ALDH1A1 P00352 8/20 0.45
POLB P06746 2/20 0.45
GFER P55789 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 1/20 0.38
CRBN Q96SW2 1/20 0.38
KDM1A O60341 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL5657158 0.84 ALDH1A1 (0.41) MAPTALDH1A1POLBGFERMEN1
SCHEMBL4849749 0.76 MAPT (0.51) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5654058 0.75 CYP1A2 (0.45) MAPTALDH1A1POLBGFERMEN1
SCHEMBL5657604 0.70 NPC1 (0.43) MAPTALDH1A1POLBGFERMEN1
SCHEMBL1674287 0.70 XDH (0.49) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11353069 0.69 MAPT (0.47) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL11345304 0.69 MAPT (0.43) MAPTALDH1A1POLBGFERMEN1
SCHEMBL2026375 0.68 MAPT (0.51) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL5656371 0.68 ALDH1A1 (0.46) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL8746689 0.68 ALDH1A1 (0.54) MAPTALDH1A1POLBMEN1KMT2A

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 3095/4885ALDH1A1 519/4885POLB 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.