SCHEMBL16014245

SCHEMBL16014245

Nc1nc(Nc2cc(Cl)cc(C(F)(F)F)c2)no1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
RAPGEF4 Q8WZA2 1/20 0.47
ALOX5 P09917 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CTSC P53634 2/20 0.37
RAPGEF3 O95398 2/20 0.36
SLC13A3 Q8WWT9 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IDH2 P48735 2/20 0.36
BCHE P06276 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL16014242 0.85 MAPT (0.44) RAPGEF4ALOX5MAPT
SCHEMBL17403481 0.79 RAPGEF4 (0.46) HDAC3HDAC1HDAC2HDAC6RAPGEF4
SCHEMBL16014348 0.78 IDH2 (0.61) MAPTKDM4ELMNACTSCSMN1; SMN2
SCHEMBL16471322 0.76 GAA (0.58) MAPT
SCHEMBL11080475 0.72 MEN1 (0.53) MAPTKDM4EPOLB
SCHEMBL4374429 0.69 RAPGEF4 (0.53) HDAC3HDAC1HDAC2HDAC6RAPGEF4
SCHEMBL11078558 0.68 POLA1 (0.50) HDAC3HDAC1HDAC2HDAC6RAPGEF4
SCHEMBL6231959 0.68 RAPGEF4 (0.49) HDAC3HDAC1HDAC2HDAC6RAPGEF4
Hydrochloric Acid SCHEMBL4376336 0.68 RAPGEF4 (0.51) HDAC3HDAC1HDAC2HDAC6RAPGEF4
SCHEMBL12706897 0.66 RAPGEF4 (0.57) HDAC3HDAC1HDAC2HDAC6RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382218-B2 N-heteroaryl substituted aniline derivatives as HCV-antivirals HOFFMANN-LA ROCHE INC. (US) 2016-07-05 US claimed
EP-2964620-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP claimed
US-20160000763-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS HOFFMANN-LA ROCHE INC. 2016-01-07 US claimed
WO-2014135423-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO claimed
US-9382218-B2 N-heteroaryl substituted aniline derivatives as HCV-antivirals HOFFMANN-LA ROCHE INC. (US) 2016-07-05 US disclosed
US-9382218-B2 N-heteroaryl substituted aniline derivatives as HCV-antivirals HOFFMANN-LA ROCHE INC. (US) 2016-07-05 US disclosed
US-9382218-B2 N-heteroaryl substituted aniline derivatives as HCV-antivirals HOFFMANN-LA ROCHE INC. (US) 2016-07-05 US disclosed
EP-2964620-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20160000763-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS HOFFMANN-LA ROCHE INC. 2016-01-07 US disclosed
US-20160000763-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS HOFFMANN-LA ROCHE INC. 2016-01-07 US disclosed
US-20160000763-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS HOFFMANN-LA ROCHE INC. 2016-01-07 US disclosed
WO-2014135423-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
WO-2014135423-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 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 (1 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-20160000763-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS HAVCR2, UGT1A1, UGT1A3 HDAC3 522/4885HDAC1 646/4885HDAC2 906/4885

“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.