SCHEMBL5656598

SCHEMBL5656598

Cc1cccc2ncc(CSc3ccc([N+](=O)[O-])cc3)n12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 9/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL5654368 0.81 RAB9A (0.40) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL5655256 0.78 PKM (0.44) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL5658231 0.76 CYP1A2 (0.53) ALDH1A1SMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL22300406 0.68 HTT (0.37) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL5655579 0.67 KMT2A (0.38) ALDH1A1SMN1; SMN2KDM4ELMNAHPGD
SCHEMBL22301172 0.67 TGFBR1 (0.39) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL28532263 0.65 MAPT (0.61) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL5659103 0.65 MAPT (0.53) ALDH1A1SMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL5656182 0.64 MAPT (0.45) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL11353069 0.64 MAPT (0.47) ALDH1A1KDM4EMAPTLMNAMEN1

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 519/4885SMN1; SMN2 1174/4885KDM4E 512/4885

“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.