SCHEMBL5659050

SCHEMBL5659050

Cn1cnnc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
MAPT P10636 7/20 0.56
GFER P55789 2/20 0.56
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 2/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.43
GCK P35557 3/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 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
SCHEMBL5654082 0.83 ALDH1A1 (0.53) ALDH1A1MAPTGFERHTTSMN1; SMN2
SCHEMBL4033994 0.81 ALDH1A1 (0.55) ALDH1A1MAPTHTTSMN1; SMN2PKM
SCHEMBL5654395 0.76 ALDH1A1 (0.59) ALDH1A1MAPTGFERHTTSMN1; SMN2
SCHEMBL5657754 0.76 GCK (0.46) ALDH1A1KDM4EMAPK1GCK
SCHEMBL30868275 0.75 ALDH1A1 (0.52) ALDH1A1MAPTHTTSMN1; SMN2PKM
SCHEMBL8046347 0.73 PDK1 (0.60) ALDH1A1MAPTHTTSMN1; SMN2TDP1
SCHEMBL11369219 0.73 MEN1 (0.53) ALDH1A1MAPTGFERHTTSMN1; SMN2
SCHEMBL17674013 0.73 ALDH1A1 (0.49) ALDH1A1MAPTGFERHTTSMN1; SMN2
SCHEMBL4163474 0.72 MAPT (0.79) ALDH1A1MAPTGFERHTTSMN1; SMN2
SCHEMBL3328543 0.72 MAPT (0.79) ALDH1A1MAPTGFERHTTSMN1; SMN2

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 ALDH1A1 519/4885MAPT 3095/4885GFER 2492/4885

“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.