SCHEMBL15545268

SCHEMBL15545268

CSC(=NC#N)Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
RAPGEF3 O95398 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 1/20 0.31
RXRA P19793 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL15545266 1.00 GABRA1 (0.33) GABRA1GABRB2HDAC3HDAC6RAPGEF3
SCHEMBL15544179 0.85 HDAC8 (0.44) HDAC3HDAC6SMN1; SMN2MEN1MAPT
SCHEMBL15544177 0.85 HDAC8 (0.44) HDAC3HDAC6SMN1; SMN2MEN1MAPT
SCHEMBL18856713 0.79 SMN1; SMN2 (0.38) HDAC3HDAC6SMN1; SMN2MEN1MAPT
SCHEMBL18856778 0.79 SMN1; SMN2 (0.35) SMN1; SMN2MEN1KMT2AKDM4ENPC1
SCHEMBL15543683 0.78 MAPT (0.38) SMN1; SMN2MEN1MAPTKMT2AHTT
SCHEMBL15543685 0.78 MAPT (0.38) SMN1; SMN2MEN1MAPTKMT2AHTT
SCHEMBL17403486 0.77 SLC13A3 (0.42) HDAC3HDAC6RAPGEF3RAPGEF4SMN1; SMN2
SCHEMBL20194905 0.76 PRKCI (0.34) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL15544871 0.76 IDO1 (0.37) RAPGEF3RAPGEF4SMN1; SMN2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2870143-B1 TRIAZOLE COMPOUNDS AS ANTIVIRALS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
EP-2870143-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. Hoffmann-La Roche AG (CH) 2015-05-13 EP disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 US disclosed
WO-2014006066-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. HOFFMANN-LA ROCHE AG (CH) 2014-01-09 WO 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 (2 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-20150307461-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS GABRA1 4135/4885GABRB2 4062/4885HDAC3 1386/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS GABRA1 4135/4885GABRB2 4062/4885HDAC3 1386/4885

“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.