SCHEMBL222552

SCHEMBL222552

CN(C)c1ccc(N[C]=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.52
TSHR P16473 4/20 0.52
HSD17B10 Q99714 2/20 0.52
ALOX15 P16050 2/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MAPT P10636 8/20 0.47
TDP1 Q9NUW8 7/20 0.47
MAPK1 P28482 5/20 0.47
LMNA P02545 2/20 0.47
MCL1 Q07820 2/20 0.47
GFER P55789 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 3/20 0.45
TP53 P04637 3/20 0.43
MEN1 O00255 3/20 0.43
NOX1 Q9Y5S8 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 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
SCHEMBL2012848 0.88 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10ALOX15CA1
SCHEMBL2012846 0.88 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10ALOX15CA1
SCHEMBL7789704 0.82 MEN1 (0.32) TDP1LMNAKMT2AMEN1
SCHEMBL428216 0.77 MEN1 (0.48) ALDH1A1CA1CA2MAPTTDP1
SCHEMBL224555 0.76 MAPT (0.55) ALDH1A1TSHRMAPTTDP1MAPK1
SCHEMBL5537273 0.75 TSHR (0.43) ALDH1A1TSHRHSD17B10ALOX15CA1
SCHEMBL5536043 0.74 MAPT (0.46) ALDH1A1TSHRALOX15MAPTMAPK1
SCHEMBL9479616 0.74 ALDH1A1 (0.65) ALDH1A1TSHRHSD17B10ALOX15CA1
SCHEMBL222247 0.74 ALDH1A1 (0.65) ALDH1A1TSHRHSD17B10ALOX15CA1
SCHEMBL65261 0.72 ALDH1A1 (1.00) ALDH1A1TSHRHSD17B10ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-04-16 US claimed
WO-2008100621-A2 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-4438136-A INHIBITION OF THROMBOXANE ACTIVITY NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-03-20 US claimed
EP-0013608-B1 SUBSTITUTED BICYCLO (2,2,1)HEPTANES AND HEPT-2-ENES AND THEIR PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1983-06-15 EP claimed
US-8637220-B2 Actinic ray-sensitive or radiation-sensitive resin composition, and resist film and pattern forming method using the composition FUJIFILM CORPORATION (JP) 2014-01-28 US disclosed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-20120003583-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND RESIST FILM AND PATTERN FORMING METHOD USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2012-01-05 US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 US disclosed
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-04-16 US disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
EP-1048701-A1 Delocalized cationic azo dye for ink jet ink EASTMAN KODAK COMPANY (US) 2000-11-02 EP disclosed
US-6136081-A PRINTING WITH A DYE MIXTURE COMPRISING HUMECTANT AND A CO-MILLED COLOR MIXTURE OF PIGMENT YELLOW 74 AND AN ORGANIC PIGMENT WITH STRUCTURE SIMILAR TO THE PRIMARY DYE, RESULTING DISPERSION IS RESISTANT TO PARTICLE RIPENING EASTMAN KODAK COMPANY (US) 2000-10-24 US disclosed
US-6136080-A A PHOTOSTABLE COLOR MIXTURE COMPRISING WATER, A HUMECTANT, AND A CATIONIC AZO DYE DERIVED FROM THE QUATERNIZATION OF A PYRAZOLEAZOINDOLE DYE EASTMAN KODAK COMPANY (US) 2000-10-24 US disclosed
US-6132501-A AQUEOUS INK JET INK COMPRISING A HUMECTANT AND A COMILLED MIXTURE OF PIGMENT YELLOW 74(PY74) AND AN AZO-METHINE DYE OF GIVEN FORMULA WHICH PREVENTS RIPENING(INCREASE IN PARTICLE SIZE) OF PY74 EASTMAN KODAK COMPANY (US) 2000-10-17 US disclosed
EP-0540854-B1 Preparation for promoting hair growth SANSHO SEIYAKU KK (JP) 1998-01-21 EP disclosed
US-5656264-A ADMINISTERING TO THE SCALP OF THE MALE A PREPERATION CONSITING OF 6-BENZYLAMINOPURINE SANSYO SEIYAKU CO., LTD. (JP) 1997-08-12 US disclosed
EP-0540854-A2 Preparation for promoting hair growth Sansho Seiyaku Co., Ltd. (JP) 1993-05-12 EP 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 (2 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-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H ALDH1A1 557/4885TSHR 4735/4885HSD17B10 1248/4885
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S CTSS, CTSE, CTSK ALDH1A1 4311/4885TSHR 1766/4885HSD17B10 3958/4885

“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.