SCHEMBL5657158

SCHEMBL5657158

CCn1nnc(CSc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPT P10636 9/20 0.40
POLB P06746 3/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
IDO1 P14902 1/20 0.36
LMNA P02545 1/20 0.36
GFER P55789 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
SCHEMBL5656182 0.84 MAPT (0.45) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL4825891 0.80 ALDH1A1 (0.46) ALDH1A1MAPTPOLBKMT2ASMN1; SMN2
SCHEMBL7140847 0.75 LMNA (0.59) ALDH1A1L3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL5657604 0.74 NPC1 (0.43) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL5654058 0.70 CYP1A2 (0.45) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL2026375 0.69 MAPT (0.51) ALDH1A1MAPTPOLBHSD17B10KMT2A
SCHEMBL5656371 0.69 ALDH1A1 (0.46) ALDH1A1MAPTPOLBHSD17B10KMT2A
Methane SCHEMBL27642737 0.68 MAPT (0.50) ALDH1A1MAPTPOLBHSD17B10KMT2A
SCHEMBL11353069 0.68 MAPT (0.47) ALDH1A1MAPTPOLBHSD17B10L3MBTL1
SCHEMBL8811170 0.67 MAPT (0.58) ALDH1A1MAPTPOLBHSD17B10KMT2A

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 519/4885MAPT 3095/4885POLB 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.