SCHEMBL5657834

SCHEMBL5657834

O=[N+]([O-])c1ccc(SCCn2cnnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
ALDH1A1 P00352 3/20 0.52
POLB P06746 1/20 0.52
GFER P55789 1/20 0.43
KMT2A Q03164 3/20 0.41
CYP19A1 P11511 2/20 0.41
IDO1 P14902 1/20 0.41
AMY1A P0DUB6 1/20 0.41
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CRBN Q96SW2 1/20 0.38

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
SCHEMBL5655020 0.82 CYP19A1 (0.64) MAPTALDH1A1POLBKMT2ACYP19A1
SCHEMBL8746687 0.79 ALDH1A1 (0.64) MAPTALDH1A1POLBKMT2AIDO1
SCHEMBL5655128 0.77 POLB (0.63) MAPTALDH1A1POLBGFERKMT2A
SCHEMBL5654082 0.76 ALDH1A1 (0.53) MAPTALDH1A1POLBGFERKMT2A
SCHEMBL5657503 0.75 MEN1 (0.49) ALDH1A1POLBKMT2ACYP19A1MEN1
SCHEMBL9476341 0.75 ALDH1A1 (0.57) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL7297643 0.74 MAPT (0.58) MAPTALDH1A1POLBKMT2AIDO1
SCHEMBL9570633 0.74 MAPT (0.58) MAPTALDH1A1POLBKMT2AIDO1
SCHEMBL5659339 0.73 KCNJ1 (0.59) KMT2ACYP19A1TSHR
SCHEMBL5280249 0.73 MAPT (0.57) MAPTALDH1A1POLBKMT2AIDO1

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.