SCHEMBL5654082

SCHEMBL5654082

Cn1cnnc1SCCSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MAPT P10636 6/20 0.53
POLB P06746 1/20 0.47
PKM P14618 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
LMNA P02545 2/20 0.46
GFER P55789 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
CASP6 P55212 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 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
TP53 P04637 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
SCHEMBL5659050 0.83 ALDH1A1 (0.56) ALDH1A1MAPTPOLBPKMRXFP1
SCHEMBL5657891 0.79 LMNA (0.51) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5654534 0.78 ALDH1A1 (0.64) ALDH1A1MAPTPOLBPKMLMNA
SCHEMBL8746687 0.77 ALDH1A1 (0.64) ALDH1A1MAPTPOLBLMNAMEN1
SCHEMBL5657834 0.76 MAPT (0.52) ALDH1A1MAPTPOLBLMNAGFER
SCHEMBL5657031 0.74 MAPT (0.48) ALDH1A1MAPTPOLBPKMRXFP1
SCHEMBL5655128 0.71 POLB (0.63) ALDH1A1MAPTPOLBPKMLMNA
SCHEMBL4033994 0.71 ALDH1A1 (0.55) ALDH1A1MAPTPOLBPKMLMNA
SCHEMBL8811170 0.71 MAPT (0.58) ALDH1A1MAPTPOLBLMNAMEN1
SCHEMBL9386034 0.70 MAPT (0.53) ALDH1A1MAPTPOLBMEN1KMT2A

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 3095/4885POLB 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.