SCHEMBL3333144

SCHEMBL3333144

NC(=O)c1cc(F)c(F)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.52
HPGD P15428 4/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
TSHR P16473 2/20 0.49
MAPT P10636 2/20 0.49
CASP1 P29466 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46

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
SCHEMBL23272826 0.89 CA12 (0.53) POLBAPEX1HPGDCA12CA1
SCHEMBL9878198 0.85 CA12 (0.46) POLBAPEX1HPGDCA12CA1
SCHEMBL1478637 0.84 DGAT1 (0.47) POLBAPEX1HPGDCA12CA1
SCHEMBL14453581 0.84 CA12 (0.44) POLBAPEX1HPGDCA12CA1
SCHEMBL2478225 0.84 CA12 (0.49) POLBAPEX1HPGDCA12CA1
SCHEMBL11479346 0.83 CA12 (0.59) HPGDCA12CA1CA2CA3
SCHEMBL5327199 0.82 DGAT1 (0.48) POLBAPEX1HPGDCA12CA1
SCHEMBL8055152 0.81 POLB (0.55) POLBAPEX1HPGDTSHRMAPT
SCHEMBL31124522 0.80 CA12 (0.63) HPGDCA12CA1CA2CA3
SCHEMBL31124523 0.80 CA12 (0.63) HPGDCA12CA1CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1009920-B Halogenated benzoic acid derivatives and their preparation KYORIN SEIYAKU KK (JP) 1990-10-10 CN claimed
CN-87100373-A Halogenated benzoic acid derivative and preparation thereof 1987-08-19 CN claimed
US-8592452-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
US-8247452-B2 Urea- and urethane-substituted acylureas, process for their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-08-21 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
EP-1590322-B1 CARBONYL-AMINO SUBSTITUTED ACYL PHENYL UREA DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2009-09-23 EP disclosed
EP-1523471-B1 UREA-SUBSTITUTED AND URETHANE-SUBSTITUTED ACYLUREAS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-09-16 EP disclosed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
US-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. 2008-02-28 US disclosed
US-20080033042-A1 UREA-AND URETHANE-SUBSTITUTED ACYLUREAS, PROCESS FOR THEIR PREPARATION AND THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-07 US disclosed
US-7262220-B2 Urea- and urethane-substituted acylureas, process for their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-28 US disclosed
US-20040102518-A1 N-benzoylureidocinnamic acid derivatives, processes for preparing them and their use AVENTIS PHARMA AG (DE) 2004-05-27 US disclosed
US-20040087659-A1 Urea- and urethane-substituted acylureas, process for their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-05-06 US disclosed
WO-2004007437-A1 UREA-SUBSTITUTED AND URETHANE-SUBSTITUTED ACYLUREAS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-22 WO disclosed
WO-2003104188-A1 N-BENZOYLUREIDOCINNAMATE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-18 WO disclosed
CN-1009920-B Halogenated benzoic acid derivatives and their preparation KYORIN SEIYAKU KK (JP) 1990-10-10 CN disclosed
CN-1008732-B Benzoyl acetate derivative and preparation method thereof KYORIN SEIYAKU KK (JP) 1990-07-11 CN disclosed
CN-87100382-A Benzoylacetic acid ester derivatives and preparation method thereof 1987-09-02 CN disclosed
CN-87100373-A Halogenated benzoic acid derivative and preparation thereof 1987-08-19 CN disclosed
CN-87100387-A Process for preparing quinolone carboxylic acid derivatives 1987-08-19 CN 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-20040102518-A1 N-benzoylureidocinnamic acid derivatives, processes for preparing them and their use SLC5A1, NQO1, SLC5A2 POLB 2502/4885APEX1 382/4885HPGD 76/4885
US-20040087659-A1 Urea- and urethane-substituted acylureas, process for their preparation and their use UGP2, UGDH, UGT1A1 POLB 2016/4885APEX1 577/4885HPGD 996/4885
US-20100152236-A1 Cyclic amine compound AR, FSHR, NR5A1 POLB 3355/4885APEX1 908/4885HPGD 1757/4885
US-20080033042-A1 UREA-AND URETHANE-SUBSTITUTED ACYLUREAS, PROCESS FOR THEIR PREPARATION AND THEIR USE UGP2, UGDH, UMPS POLB 2082/4885APEX1 826/4885HPGD 918/4885
US-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, CCND2, CCND1 POLB 2462/4885APEX1 1895/4885HPGD 1958/4885

“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.