SCHEMBL948159

SCHEMBL948159

CC([C]=O)NC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 2/20 0.51
RAB9A P51151 1/20 0.51
CTSL P07711 2/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
LMNA P02545 4/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
SLC1A2 P43004 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC3 O15379 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
IDO1 P14902 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL7056329 1.00 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDRAB9ACTSL
SCHEMBL16089595 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDRAB9ACTSL
SCHEMBL30827957 0.83 CTSL (0.54) ALDH1A1SMN1; SMN2HPGDRAB9ACTSL
SCHEMBL7723710 0.83 CTSL (0.54) ALDH1A1SMN1; SMN2HPGDRAB9ACTSL
SCHEMBL10546059 0.83 GFER (0.47) ALDH1A1SMN1; SMN2HPGDRAB9ACTSL
SCHEMBL27306278 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HPGDRAB9ACTSL
SCHEMBL10545810 0.81 HTT (0.57) ALDH1A1SMN1; SMN2RAB9ALMNAKMT2A
SCHEMBL10601911 0.80 LMNA (0.56) ALDH1A1SMN1; SMN2RAB9ALMNAKMT2A
SCHEMBL10601903 0.80 LMNA (0.56) ALDH1A1SMN1; SMN2RAB9ALMNAKMT2A
SCHEMBL24998749 0.79 MLYCD (0.58) ALDH1A1SMN1; SMN2HPGDRAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313713-B1 4-PYRIMIDINAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS ORTHO MCNEIL PHARM INC (US) 2008-06-11 EP claimed
US-20040006094-A1 4-pyrimidinamine derivatives, pharmaceutical compositions and related methods GRANT ELFRIDA R (US) 2004-01-08 US claimed
US-20030212079-A1 4-pyrimidinamine derivatives, pharmaceutical compositions and related methods GRANT ELFRIDA R (US) 2003-11-13 US claimed
EP-1313713-A2 4-PYRIMIDINAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-28 EP claimed
US-20030008883-A1 4-Pyrimidinamine derivatives, pharmaceutical compositions and related methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-09 US claimed
WO-2002012198-A2 4-PYRIMIDINAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 WO claimed
EP-2208726-B1 Cyclic amide derivatives, and their production and use as antithrombotic agents TAKEDA PHARMACEUTICAL (JP) 2014-08-20 EP disclosed
US-8697865-B2 Cyclic amide derivative, and its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-15 US disclosed
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2208726-A1 Cyclic amide derivatives, and their production and use as antithrombotic agents Takeda Pharmaceutical Company Limited (JP) 2010-07-21 EP disclosed
US-7745623-B2 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-29 US disclosed
US-20100160629-A1 CYCLIC AMIDE DERIVATIVE, AND ITS PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20080255352-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-5750699-A HALOGENATING OF CORRESPONDING COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
US-5708173-A PREPARATION OF SUBSTITUTED QUINOLINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 US disclosed
US-5563162-A CAN BE ADMINISTERD FOR THE TREATMENT OF ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASES, SHOCK OR PAIN IN ANIMALS AND HUMANS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-08 US disclosed
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 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 (6 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-20080255352-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis JAK2, CNR1, F2 ALDH1A1 1792/4885SMN1; SMN2 2741/4885HPGD 1112/4885
US-20040006094-A1 4-pyrimidinamine derivatives, pharmaceutical compositions and related methods CASP3, CASP5, CASP4 ALDH1A1 1306/4885SMN1; SMN2 54/4885HPGD 547/4885
US-20030008883-A1 4-Pyrimidinamine derivatives, pharmaceutical compositions and related methods CASP3, CASP5, CASP4 ALDH1A1 1306/4885SMN1; SMN2 54/4885HPGD 547/4885
US-20030212079-A1 4-pyrimidinamine derivatives, pharmaceutical compositions and related methods CASP3, CASP5, CASP4 ALDH1A1 1306/4885SMN1; SMN2 54/4885HPGD 547/4885
US-20100160629-A1 CYCLIC AMIDE DERIVATIVE, AND ITS PRODUCTION AND USE CNR1, CNR2, ARG1 ALDH1A1 1720/4885SMN1; SMN2 2828/4885HPGD 649/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 ALDH1A1 2316/4885SMN1; SMN2 3635/4885HPGD 248/4885

“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.