SCHEMBL16022682

SCHEMBL16022682

N#Cc1c(Cl)cc(N=S)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL15544283 0.78 MIF (0.37) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL18653330 0.77 MEN1 (0.33) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL16471295 0.74 KMT2A (0.30) KMT2A
SCHEMBL16478056 0.72 TRPV4 (0.52) MAPK1
SCHEMBL952362 0.72 ALDH1A1 (0.45) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL16478249 0.72 HTR3E (0.48) ALDH1A1CYP3A4HPGDMAPK1
SCHEMBL16478250 0.70 HTR3E (0.31)
SCHEMBL15850516 0.70 VCAM1 (0.40) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL1811343 0.69 ALDH1A1 (0.38) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL16478063 0.69 GRIN2D (0.31) MEN1MAPTKMT2A

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 9 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
EP-2964637-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-04-12 EP disclosed
US-20170081312-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2017-03-23 US disclosed
US-9428469-B2 Antiviral compounds HOFFMANN-LA ROCHE (US) 2016-08-30 US disclosed
US-20160009666-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2016-01-14 US disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
WO-2014135471-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
WO-2014135422-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 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 (4 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-20160009666-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MEN1 4614/4885ALDH1A1 206/4885TP53 2965/4885
US-20170081312-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MEN1 4566/4885ALDH1A1 190/4885TP53 3284/4885
US-20150307461-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MEN1 4686/4885ALDH1A1 222/4885TP53 2824/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MEN1 4686/4885ALDH1A1 222/4885TP53 2824/4885

“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.