SCHEMBL5655088

SCHEMBL5655088

Nc1ccc(SCCn2ccnc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.72
KDM4E B2RXH2 2/20 0.72
TSHR P16473 1/20 0.72
ALDH1A1 P00352 2/20 0.58
CYP11B1 P15538 3/20 0.54
CYP11B2 P19099 3/20 0.54
CYP19A1 P11511 3/20 0.48
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
TBXAS1 P24557 2/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL12045326 0.83 TP53 (0.71) TP53KDM4ETSHRALDH1A1CYP11B1
Hydrochloric Acid SCHEMBL9996062 0.82 TP53 (0.69) TP53KDM4ETSHRALDH1A1CYP11B1
SCHEMBL5657503 0.80 MEN1 (0.49) TP53KDM4ETSHRALDH1A1CYP11B1
SCHEMBL5655020 0.78 CYP19A1 (0.64) TP53KDM4ETSHRALDH1A1CYP11B1
SCHEMBL4316370 0.75 CYP11B1 (0.69) CYP11B1CYP11B2CYP19A1KMT2ATBXAS1
SCHEMBL12045327 0.74 TP53 (0.67) TP53KDM4ETSHRALDH1A1CYP19A1
SCHEMBL76839 0.74 KDM4E (0.72) KDM4EALDH1A1MEN1KMT2ATBXAS1
Hydrochloric Acid SCHEMBL9996047 0.73 TP53 (0.65) TP53KDM4ETSHRALDH1A1CYP19A1
SCHEMBL6302835 0.73 QPCT (0.73) KDM4EMEN1KMT2ATBXAS1LMNA
SCHEMBL6671107 0.73 TP53 (0.74) TP53KDM4ETSHRALDH1A1CYP19A1

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 TP53 4651/4885KDM4E 512/4885TSHR 2872/4885

“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.