SCHEMBL3497353

SCHEMBL3497353

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2ccccc2cc1O

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 13/20 0.72
P2RX7 Q99572 5/20 0.72
P2RX4 Q99571 4/20 0.72
P2RX3 P56373 1/20 0.66
TMPRSS4 Q9NRS4 7/20 0.64
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
IKBKB O14920 1/20 0.63
CHUK O15111 1/20 0.63
KDR P35968 1/20 0.63
FLT3 P36888 1/20 0.63
MYLK Q15746 1/20 0.63
MAP4K5 Q9Y4K4 1/20 0.63
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
POLB P06746 1/20 0.59

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
SCHEMBL9322590 0.89 P2RX1 (0.73) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL12368137 0.89 NPC1 (0.68) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL127962 0.84 P2RX1 (1.00) P2RX1P2RX7P2RX4P2RX3TMPRSS4
SCHEMBL5426499 0.81 KMT2A (0.84) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL130439 0.81 P2RX1 (0.81) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL4928355 0.81 P2RX1 (0.76) P2RX1P2RX7P2RX4P2RX3TMPRSS4
SCHEMBL10910605 0.80 TRPV1 (0.67) TMPRSS4MEN1KMT2ANPC1RAB9A
SCHEMBL30084384 0.80 MEN1 (0.77) TMPRSS4MEN1KMT2ANPC1RAB9A
SCHEMBL29890853 0.80 MEN1 (0.77) TMPRSS4MEN1KMT2ANPC1RAB9A
SCHEMBL57970 0.80 MEN1 (0.77) TMPRSS4MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221411-A1 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2014-08-07 US claimed
US-9266872-B2 2-hydroxyarylamide derivative or pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition for preventing or treating cancer containing same as active ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2016-02-23 US disclosed
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP disclosed
US-20140221411-A1 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2014-08-07 US disclosed
US-20140221411-A1 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2014-08-07 US disclosed
US-20140221411-A1 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2014-08-07 US disclosed
WO-2013058613-A2 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT 한국생명공학연구원 (KR) 2013-04-25 WO disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 US disclosed
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-04 US disclosed
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-0780363-B1 Bisazo-benzofuran compounds, their use as charge carrier generating compounds SHARP KK (JP) 2001-09-26 EP disclosed
US-5853930-A Electrophotographic photoconductors using bisazo compounds SHARP KABUSHIKI KAISHA (JP) 1998-12-29 US disclosed
EP-0780363-A1 Bisazo-benzofuran compounds, their use as charge carrier generating compounds and intermediates for their preparation SHARP KABUSHIKI KAISHA (JP) 1997-06-25 EP disclosed
US-4913997-A PHOTOSENSITIVE LAYER CONTAINING AZO PIGMENTS, HIGH DIRABILITY, MOISTURE RESISTANCE, THERMAL STABILITY MITSUBISHI PAPER MILLS LIMITED (JP) 1990-04-03 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 (3 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-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction IL1A, TNF, NFKBIA P2RX1 2507/4885P2RX7 2251/4885P2RX4 3900/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 P2RX1 3644/4885P2RX7 3286/4885P2RX4 4206/4885
US-20140221411-A1 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT TMPRSS2, TMPRSS4, PRSS2 P2RX1 4273/4885P2RX7 4289/4885P2RX4 3330/4885

“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.