SCHEMBL5654152

SCHEMBL5654152

Cc1cc(C)nc(SCc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 1.00
HPGD P15428 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
ALDH1A1 P00352 2/20 0.63
POLB P06746 2/20 0.62
HTT P42858 2/20 0.60
GAA P10253 2/20 0.60
KDM1A O60341 1/20 0.59
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TDP1 Q9NUW8 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
EGFR P00533 1/20 0.56
MET P08581 1/20 0.56
CTSB P07858 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL13067231 0.90 MAPT (0.82) MAPTHPGDL3MBTL1ALDH1A1POLB
SCHEMBL28269768 0.84 MAPT (0.72) MAPTHPGDL3MBTL1ALDH1A1POLB
SCHEMBL8108331 0.79 MAPT (0.66) MAPTHPGDL3MBTL1ALDH1A1POLB
SCHEMBL10522322 0.78 MAPT (0.66) MAPTHPGDL3MBTL1ALDH1A1HTT
SCHEMBL5657175 0.76 MAPT (0.61) MAPTALDH1A1POLBHTTLMNA
SCHEMBL28532263 0.76 MAPT (0.61) MAPTHPGDL3MBTL1ALDH1A1POLB
SCHEMBL14611580 0.76 MAPT (0.61) MAPTHPGDL3MBTL1ALDH1A1POLB
SCHEMBL10411023 0.76 HTT (0.70) MAPTHPGDALDH1A1HTTGAA
SCHEMBL28269805 0.75 MAPT (0.60) MAPTHPGDL3MBTL1ALDH1A1POLB
SCHEMBL8187272 0.74 MAPT (0.59) MAPTL3MBTL1ALDH1A1POLBHTT

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 3095/4885HPGD 2817/4885L3MBTL1 2184/4885

“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.