SCHEMBL15544149

SCHEMBL15544149

Nc1ccc(C#Cc2ccccc2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
CYP3A4 P08684 5/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
APP P05067 2/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.43
PTPN1 P18031 1/20 0.42

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
SCHEMBL3275176 0.82 MAPT (0.61) MAPTCYP3A4ALDH1A1NPC1CYP2C9
SCHEMBL7531908 0.81 MAPT (0.59) MAPTCYP3A4ALDH1A1NPC1CYP2C9
SCHEMBL2265967 0.79 MAPT (0.57) MAPTCYP3A4ALDH1A1NPC1CYP2C9
SCHEMBL1921409 0.78 PTGDR2 (0.47) MAPTCYP3A4ALDH1A1NPC1CYP2C9
SCHEMBL11682818 0.77 MAPT (0.59) MAPTCYP3A4ALDH1A1NPC1CYP2C9
SCHEMBL1920654 0.76 FFAR1 (0.57) MAPTCYP3A4ALDH1A1NPC1CYP2C9
SCHEMBL31279173 0.76 FFAR1 (0.57) MAPTCYP3A4ALDH1A1NPC1CYP2C9
SCHEMBL18343633 0.75 PTGDR2 (0.43) CYP1A2PTGDR2
SCHEMBL2812544 0.74 MAPT (0.55) MAPTCYP3A4ALDH1A1NPC1CYP2C9
SCHEMBL29545275 0.74 CYP3A4 (0.60) MAPTCYP3A4ALDH1A1NPC1CYP2C9

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 MAPT 4508/4885CYP3A4 241/4885ALDH1A1 222/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MAPT 4508/4885CYP3A4 241/4885ALDH1A1 222/4885

“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.