SCHEMBL718271

SCHEMBL718271

Cc1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.51
FGFR4 P22455 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
IDO1 P14902 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 3/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PIN1 Q13526 1/20 0.48
ALDH1A1 P00352 2/20 0.46
RPS6KB2 Q9UBS0 2/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL22719050 0.88 MAPT (0.54) MAPTFGFR4NPC1MAPK1HTT
SCHEMBL29535826 0.88 MAPT (0.54) MAPTFGFR4NPC1MAPK1HTT
SCHEMBL9984336 0.87 MAPT (0.52) MAPTFGFR4MAPK1HTTTDP1
SCHEMBL12705359 0.85 FGFR4 (0.52) MAPTFGFR4RAB9AHTTTDP1
SCHEMBL9984006 0.85 MAPT (0.55) MAPTFGFR4NPC1RAB9AMAPK1
SCHEMBL1600402 0.85 PIN1 (0.65) MAPTFGFR4IDO1SMN1; SMN2MAPK1
SCHEMBL1601194 0.85 HSF1 (0.52) MAPTNPC1RAB9AIDO1SMN1; SMN2
SCHEMBL9983193 0.85 FGFR4 (0.52) MAPTFGFR4NPC1RAB9AMAPK1
SCHEMBL2195898 0.85 MAPT (0.51) MAPTFGFR4NPC1RAB9ASMN1; SMN2
SCHEMBL720311 0.85 MERTK (0.61) MAPTFGFR4NPC1RAB9AIDO1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933106-B2 2-(4-substituted phenylamino) polysubstituted pyridine compounds as inhibitors of non-nucleoside HIV reverse transcriptase, preparation methods and uses thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2015-01-13 US disclosed
EP-2351739-B1 2-(4-SUBSTITUTED PHENYLAMINO) POLYSUBSTITUTED PYRIDINE COMPOUNDS AS THE INHIBITORS OF NON-NUCLEOSIDE HIV REVERSE TRANSCRIPTASE, PRAPARATION METHODS AND USES THEREOF INST PHARM & TOXICOLOGY AMMS (CN) 2013-07-31 EP disclosed
EP-1670787-B1 CYTOKINE INHIBITORS ITHERX PHARMA INC (US) 2012-05-30 EP disclosed
US-20120053213-A1 2-(4-SUBSTITUTED PHENYLAMINO) POLYSUBSTITUTED PYRIDINE COMPOUNDS AS INHIBITORS OF NON-NUCLEOSIDE HIV REVERSE TRANSCRIPTASE, PREPARATION METHODS AND USES THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2012-03-01 US disclosed
US-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US disclosed
EP-2394993-A2 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Dong Wha Pharm. Co., Ltd. (KR) 2011-12-14 EP disclosed
EP-2351739-A1 THE 2-(4-SUBSTITUTED PHENYLAMINO) POLYSUBSTITUTED PYRIDINE COMPOUNDS AS THE INHIBITORS OF NON-NUCLEOSIDE HIV REVERSE TRANSCRIPTASE, PRAPARATION METHODS AND USES THEREOF Institute Of Pharmacology And Toxicology Academy Of Military Medical Sciences P.L.A. China (CN) 2011-08-03 EP disclosed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
CN-101717364-A Paradoximes as HIV reverse transcriptase inhibitor as well as preparation method and purpose thereof INST PHARM & TOXICOLOGY AMMS 2010-06-02 CN disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP disclosed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 EP disclosed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US disclosed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 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 (5 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-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME NOS3, PTMS, NOS2 MAPT 4055/4885FGFR4 1689/4885NPC1 1775/4885
US-20120053213-A1 2-(4-SUBSTITUTED PHENYLAMINO) POLYSUBSTITUTED PYRIDINE COMPOUNDS AS INHIBITORS OF NON-NUCLEOSIDE HIV REVERSE TRANSCRIPTASE, PREPARATION METHODS AND USES THEREOF PNP, DPYD, TYMP MAPT 1866/4885FGFR4 2376/4885NPC1 1678/4885
US-20050107399-A1 Cytokine inhibitors TNF, IL1RN, IL1A MAPT 3744/4885FGFR4 767/4885NPC1 4360/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPT 3744/4885FGFR4 767/4885NPC1 4360/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPT 3744/4885FGFR4 767/4885NPC1 4360/4885

“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.