SCHEMBL3915052

SCHEMBL3915052

Cc1cccc([N+](=O)[O-])c1Nc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KCNMA1 Q12791 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH3A1 P30838 1/20 0.40
CXCR2 P25025 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MAPT P10636 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL2772541 0.84 ALDH1A1 (0.67) ALDH1A1TSHRSMN1; SMN2HTTRAB9A
SCHEMBL3908693 0.82 MEN1 (0.46) ALDH1A1TSHRSMN1; SMN2HTTKCNMA1
SCHEMBL11900645 0.79 CXCR2 (0.58) ALDH1A1TSHRSMN1; SMN2RAB9AKCNMA1
SCHEMBL3911376 0.79 ALDH1A1 (0.62) HSPB1ALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL31047229 0.78 TSHR (0.49) ALDH1A1TSHRSMN1; SMN2HTTRAB9A
SCHEMBL3911920 0.78 TSHR (0.49) ALDH1A1TSHRSMN1; SMN2HTTRAB9A
SCHEMBL2773784 0.75 MEN1 (0.49) ALDH1A1TSHRSMN1; SMN2HTTKCNMA1
SCHEMBL28492231 0.75 SMN1; SMN2 (0.45) ALDH1A1TSHRSMN1; SMN2RAB9AKCNMA1
SCHEMBL3908318 0.74 CXCR2 (0.47) ALDH1A1TSHRSMN1; SMN2HTTRAB9A
SCHEMBL2773787 0.74 KCNMA1 (0.45) ALDH1A1TSHRSMN1; SMN2HTTKCNMA1

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 11 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
EP-2024350-B1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS ANACONDA PHARMA (FR) 2013-09-18 EP disclosed
CN-101466693-B Piperidine derivatives as human papilloma virus inhibitors ANACONDA PHARMA 2012-12-12 CN 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
EP-2024350-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS Anaconda Pharma (FR) 2009-02-18 EP disclosed
WO-2007135106-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS ANACONDA PHARMA (FR) 2007-11-29 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 (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 HSPB1 2930/4885ALDH1A1 452/4885TSHR 4765/4885
US-20180021318-A9 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS POLI, VHL, EBNA1BP2 HSPB1 2930/4885ALDH1A1 452/4885TSHR 4765/4885
US-20090209586-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS IDH3A, IDH1, CBR3 HSPB1 1198/4885ALDH1A1 123/4885TSHR 1102/4885
US-20120220633-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS IDH3A, CBR3, CBR1 HSPB1 1552/4885ALDH1A1 138/4885TSHR 870/4885

“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.