SCHEMBL15968528

SCHEMBL15968528

Nc1ccc(Nc2ccccc2)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 1.00
ALDH1A1 P00352 7/20 1.00
TDP1 Q9NUW8 3/20 1.00
HTT P42858 3/20 1.00
ALOX15 P16050 2/20 1.00
MAPT P10636 10/20 0.56
KDM4E B2RXH2 8/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
NSD2 O96028 1/20 0.56
POLB P06746 1/20 0.56
APEX1 P27695 1/20 0.56
APOBEC3A P31941 1/20 0.56
RECQL P46063 1/20 0.56
CASP6 P55212 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 2/20 0.54
ALOX12 P18054 1/20 0.54

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
SCHEMBL6652677 0.82 ALDH1A1 (0.69) GAAALDH1A1TDP1HTTALOX15
SCHEMBL29267932 0.82 ALDH1A1 (0.69) GAAALDH1A1TDP1HTTALOX15
SCHEMBL9631014 0.82 ALDH1A1 (0.69) GAAALDH1A1TDP1HTTALOX15
SCHEMBL656253 0.82 GAA (0.69) GAAALDH1A1TDP1HTTALOX15
SCHEMBL31539220 0.81 ALDH1A1 (0.68) GAAALDH1A1TDP1HTTALOX15
SCHEMBL174141 0.81 GAA (0.68) GAAALDH1A1TDP1HTTALOX15
SCHEMBL14315671 0.81 ALDH1A1 (0.67) GAAALDH1A1TDP1HTTALOX15
SCHEMBL8206937 0.79 ALDH1A1 (0.66) GAAALDH1A1TDP1HTTALOX15
SCHEMBL25129316 0.79 ALDH1A1 (0.64) GAAALDH1A1TDP1HTTALOX15
SCHEMBL11206431 0.78 GAA (0.65) GAAALDH1A1TDP1HTTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948440-B1 ANTIVIRAL TRIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-04-12 EP disclosed
EP-2948440-B1 ANTIVIRAL TRIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-04-12 EP disclosed
US-9511059-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2016-12-06 US disclosed
US-9511059-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2016-12-06 US disclosed
US-20150353511-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-10 US disclosed
US-20150353511-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-10 US disclosed
US-20140242028-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2014-08-28 US disclosed
US-20140242028-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2014-08-28 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 (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-20140242028-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS GAA 88/4885ALDH1A1 222/4885TDP1 2690/4885
US-20150353511-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS GAA 88/4885ALDH1A1 222/4885TDP1 2690/4885

“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.