SCHEMBL15544179

SCHEMBL15544179

CSC(=NC#N)Nc1cccc(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
RAF1 P04049 1/20 0.41
FFAR1 O14842 1/20 0.40
P2RX1 P51575 1/20 0.40
KCNJ6 P48051 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
KCNK9 Q9NPC2 1/20 0.37
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
STAT1 P42224 1/20 0.36
BRAF P15056 1/20 0.35
KDR P35968 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
SCHEMBL15544177 1.00 HDAC8 (0.44) HDAC8HDAC6HDAC3RAF1FFAR1
SCHEMBL16013094 0.88 MAPT (0.50) SMN1; SMN2MAPTHTTRAB9ALMNA
SCHEMBL16013095 0.88 MAPT (0.50) SMN1; SMN2MAPTHTTRAB9ALMNA
SCHEMBL15545266 0.85 GABRA1 (0.33) HDAC6HDAC3SMN1; SMN2MAPTHTT
SCHEMBL15545268 0.85 GABRA1 (0.33) HDAC6HDAC3SMN1; SMN2MAPTHTT
SCHEMBL18856725 0.81 SMN1; SMN2 (0.50) SMN1; SMN2MAPTHTTMEN1KMT2A
SCHEMBL13105581 0.80 IDO1 (0.46) SMN1; SMN2MAPTHTTRAB9AMAPK1
SCHEMBL16471293 0.80 IDO1 (0.46) SMN1; SMN2MAPTHTTRAB9AMAPK1
SCHEMBL4682234 0.80 TSHR (0.46) SMN1; SMN2MAPTHTTRAB9ANPC1
SCHEMBL10452571 0.80 NPC1 (0.50) SMN1; SMN2MAPTHTTRAB9ANPC1

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 HDAC8 1942/4885HDAC6 161/4885HDAC3 1386/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS HDAC8 1942/4885HDAC6 161/4885HDAC3 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.