SCHEMBL5657333

SCHEMBL5657333

CCCn1cnnc1C(C)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
LMNA P02545 5/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 7/20 0.40
KCNH3 Q9ULD8 1/20 0.40
RAB9A P51151 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
HTT P42858 4/20 0.38
GLA P06280 1/20 0.38
GAA P10253 2/20 0.37

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
SCHEMBL5657335 0.68 MAPT (0.49) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL5655461 0.68 CRHBP (0.48) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL28142388 0.68 ALDH1A1 (0.64) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL5278563 0.68 ALDH1A1 (0.36) MAPTKMT2ALMNAALDH1A1CA12
SCHEMBL5657031 0.68 MAPT (0.48) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL3141855 0.67 KCNH3 (0.63) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL9541766 0.66 MAPT (0.59) MAPTMEN1KMT2ALMNANPSR1
Hydrochloric Acid SCHEMBL7504066 0.66 KCNH3 (0.66) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL5030292 0.66 CRHBP (0.62) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL8364606 0.66 CRHBP (0.62) MAPTMEN1KMT2ALMNAALDH1A1

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 3095/4885MEN1 729/4885KMT2A 391/4885

“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.