SCHEMBL4241741

SCHEMBL4241741

Cc1cccc(N)c1Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
CHRNA7 P36544 2/20 0.48
TDO2 P48775 1/20 0.44
DHFR P00374 1/20 0.44
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
KCNH2 Q12809 2/20 0.42
SCN5A Q14524 2/20 0.42
SCN9A Q15858 2/20 0.42
MAPT P10636 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL3908693 0.77 MEN1 (0.46) ALDH1A1CHRNA7MAPT
SCHEMBL11900726 0.76 CXCR2 (0.51) ALDH1A1MAPT
SCHEMBL3981866 0.75 MAPT (0.61) ALDH1A1DHFRABL1BCRKCNH2
SCHEMBL3921096 0.75 MAPT (0.52) ALDH1A1MAPTEPHX2
SCHEMBL31047209 0.74 RAPGEF4 (0.53) ALDH1A1TDO2MAPT
SCHEMBL27110704 0.74 RAPGEF4 (0.53) ALDH1A1TDO2MAPT
SCHEMBL3194551 0.73 MAPT (0.61) ALDH1A1CHRNA7DHFRABL1BCR
SCHEMBL1923201 0.73 MAPT (0.61) ALDH1A1CHRNA7DHFRABL1BCR
SCHEMBL9070626 0.72 MAPT (0.52) CHRNA7DHFRABL1BCRMAPT
SCHEMBL13198824 0.71 SCN8A (0.44) KCNH2SCN5ASCN9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9974779-B2 Piperidine derivatives as human papilloma virus inhibitors VAXART, INC. (US) 2018-05-22 US disclosed
US-20180021318-A9 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS VAXART, INC. 2018-01-25 US disclosed
US-20170079968-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS AVIRAGEN THERAPEUTICS INC (US) 2017-03-23 US disclosed
US-9452991-B2 Piperidine derivatives as human papilloma virus inhibitors AVIRAGEN THERAPEUTICS, INC. (US) 2016-09-27 US disclosed
US-20120220633-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS ANACONDA PHARMA 2012-08-30 US disclosed
US-8207373-B2 Benzoic acid derivatives as human papilloma virus inhibitors ANACONDA PHARMA (FR) 2012-06-26 US disclosed
US-20090209586-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS ANACONDA PHARMA 2009-08-20 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-20170079968-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS POLI, VHL, EBNA1BP2 ALDH1A1 452/4885CHRNA7 4776/4885TDO2 4822/4885
US-20180021318-A9 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS POLI, VHL, EBNA1BP2 ALDH1A1 452/4885CHRNA7 4776/4885TDO2 4822/4885
US-20090209586-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS IDH3A, IDH1, CBR3 ALDH1A1 123/4885CHRNA7 4203/4885TDO2 500/4885
US-20120220633-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS IDH3A, CBR3, CBR1 ALDH1A1 138/4885CHRNA7 3835/4885TDO2 421/4885

“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.