SCHEMBL5657031

SCHEMBL5657031

CCCn1cnnc1CCSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
ALDH1A1 P00352 7/20 0.48
POLB P06746 1/20 0.48
GFER P55789 1/20 0.38
PKM P14618 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5657601 0.78 POLB (0.44) MAPTALDH1A1POLBPKMRXFP1
SCHEMBL5657335 0.75 MAPT (0.49) MAPTALDH1A1POLBKMT2AMAPK1
SCHEMBL5654082 0.74 ALDH1A1 (0.53) MAPTALDH1A1POLBGFERPKM
SCHEMBL8811170 0.73 MAPT (0.58) MAPTALDH1A1POLBKMT2AMAPK1
SCHEMBL5657834 0.71 MAPT (0.52) MAPTALDH1A1POLBGFERKDM4E
SCHEMBL8973697 0.70 MAPT (0.54) MAPTALDH1A1POLBKMT2AMAPK1
SCHEMBL5279872 0.69 ADORA2A (0.33) MAPTLMNA
SCHEMBL8746687 0.69 ALDH1A1 (0.64) MAPTALDH1A1POLBKDM4EUSP2
SCHEMBL5694459 0.69 MAPT (0.53) MAPTALDH1A1POLBKMT2AMAPK1
SCHEMBL6103303 0.68 NPC1 (0.36) MAPTALDH1A1POLBKMT2ASMN1; SMN2

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 3095/4885ALDH1A1 519/4885POLB 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.