SCHEMBL5657335

SCHEMBL5657335

CCCn1cnnc1CN(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
CRHBP P24387 2/20 0.45
CRHR2 Q13324 2/20 0.45
CYP19A1 P11511 3/20 0.39
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
TLR9 Q9NR96 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
PHLPP2 Q6ZVD8 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP14 P50281 1/20 0.36
HTT P42858 2/20 0.35
POLB P06746 2/20 0.35
FNTA P49354 1/20 0.35

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
SCHEMBL5656670 0.81 MAPT (0.50) MAPTCRHBPCRHR2CYP19A1ALDH1A1
SCHEMBL5655461 0.78 CRHBP (0.48) MAPTCRHBPCRHR2CYP19A1ALDH1A1
SCHEMBL5657031 0.75 MAPT (0.48) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL5674584 0.72 MAPT (0.69) MAPTCRHBPCRHR2ALDH1A1KMT2A
SCHEMBL5657601 0.71 POLB (0.44) MAPTALDH1A1KMT2AMEN1TDP1
Hydrochloric Acid SCHEMBL8571681 0.70 MAPT (0.67) MAPTCRHBPCRHR2ALDH1A1KMT2A
SCHEMBL16706324 0.69 MAPT (0.81) MAPTCRHBPCRHR2ALDH1A1KMT2A
SCHEMBL5657333 0.68 MAPT (0.41) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL11360037 0.68 ALDH1A1 (0.41) MAPTCYP19A1ALDH1A1KMT2AMEN1
SCHEMBL5278563 0.68 ALDH1A1 (0.36) MAPTALDH1A1KMT2AL3MBTL1TDP1

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 3095/4885CRHBP 4575/4885CRHR2 1762/4885

“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.