SCHEMBL12401894

SCHEMBL12401894

[C-]#[N+]Cc1ccc(CCCc2ccc(CC#N)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FFAR1 O14842 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL12355406 0.90 KMT2A (0.37) KMT2AL3MBTL1KDM4ETDP1
SCHEMBL13098219 0.76 HTR2A (0.54) KMT2AFFAR1HTR2A
SCHEMBL6898751 0.72 HSD17B10 (0.50) L3MBTL1TSHRHSD17B10KDM4EHTR2A
SCHEMBL8099830 0.72 MAOA (0.45) L3MBTL1KDM4EHTR2A
SCHEMBL9193592 0.72 KMT2A (0.36) KMT2AL3MBTL1TSHRHSD17B10KDM4E
SCHEMBL2154504 0.72 KMT2A (0.47) KMT2AL3MBTL1KDM4ETDP1
SCHEMBL13015764 0.72 ENPP2 (0.49) KMT2AKDM4ETDP1FFAR1
SCHEMBL9197674 0.71 KMT2A (0.38) KMT2AL3MBTL1TSHRKDM4ETDP1
SCHEMBL9552411 0.71 KMT2A (0.35) KMT2AL3MBTL1TSHRHSD17B10KDM4E
SCHEMBL846409 0.71 HSD17B10 (0.58) TSHRHSD17B10KDM4EHTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703825-B2 Compounds, use thereof as medicaments, and method of preparation thereof UNIVERSITE DE LORRAINE (FR) 2014-04-22 US disclosed
US-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF UNIVERSITE HENRI POINCARE NANCY 1 (FR) 2011-07-28 US 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-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF CYP11B2, NPM1, B2M KMT2A 2941/4885L3MBTL1 4103/4885TSHR 1775/4885

“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.