SCHEMBL5657417

SCHEMBL5657417

Nc1ccc(SCc2nccn2CCCCC(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ARG1 P05089 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TBXAS1 P24557 3/20 0.35
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC3 O15379 1/20 0.34
PTK2 Q05397 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL3460377 0.81 TNF (0.48)
SCHEMBL5657420 0.81 CCNE1 (0.38) SMN1; SMN2ARG1ALDH1A1KDM4EMEN1
SCHEMBL5653814 0.78 TLR8 (0.39) ALDH1A1HPGDMEN1GAAKMT2A
SCHEMBL5657194 0.78 ADORA2B (0.36) SMN1; SMN2ALDH1A1MEN1GAAKMT2A
SCHEMBL5657940 0.77 ALDH1A1 (0.41) ALDH1A1HPGDMEN1GAAKMT2A
SCHEMBL5657944 0.77 NPC1 (0.43) SMN1; SMN2ALDH1A1MEN1GAAKMT2A
SCHEMBL5657825 0.75 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1KDM4EHPGDMEN1
SCHEMBL25021584 0.73 ARG1 (0.61) ESR1SMN1; SMN2ARG1ALDH1A1KDM4E
SCHEMBL5657607 0.72 KMT2A (0.41) SMN1; SMN2ALDH1A1KDM4EHPGDMEN1
SCHEMBL5654563 0.72 NPC1 (0.33) SMN1; SMN2ALDH1A1MEN1KMT2A

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 ESR1 987/4885SMN1; SMN2 1174/4885ARG1 682/4885

“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.