SCHEMBL2916902

SCHEMBL2916902

O=C=NC(=O)c1ccc(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.46
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ P2RX7 Q99572 4/20 0.40
▸ PYGL P06737 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38

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
Methylene Chloride SCHEMBL4572767 0.95 HPGD (0.43) HPGDNPC1RAB9ACES2CES1
SCHEMBL10803361 0.86 CES2 (0.40) HPGDCES2CES1ALDH1A1MAPK1
SCHEMBL10643675 0.85 HPGD (0.45) HPGDNPC1RAB9ACES2CES1
SCHEMBL5314369 0.82 CES2 (0.57) NPC1RAB9ACES2CES1ALDH1A1
SCHEMBL4643747 0.82 TSHR (0.55) HPGDNPC1RAB9AALDH1A1LMNA
SCHEMBL10747308 0.79 CES2 (0.40) HPGDNPC1RAB9ACES2CES1
SCHEMBL10585954 0.79 CES2 (0.57) CES2CES1ALDH1A1
SCHEMBL1121904 0.79 POLB (0.45) HPGDNPC1RAB9ALMNAGAA
SCHEMBL11010263 0.76 CES2 (0.40) NPC1RAB9ACES2CES1ALDH1A1
SCHEMBL8348114 0.76 TRPA1 (0.42) HPGDNPC1RAB9ACES2CES1

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
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
EP-1556339-B1 CARBOXYALKOXY-SUBSTITUTED ACYL-CARBOXYPHENYL-UREA DERIVATIVES, PRODUCTION METHOD AND USE THEREOF AS MEDICINE SANOFI AVENTIS DEUTSCHLAND (DE) 2010-09-01 — — EP disclosed
US-7781459-B2 Carboxyalkoxy-substituted acyl-carboxyphenylurea derivatives and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-24 — — US disclosed
EP-1523475-B1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-12-23 — — 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
US-7501440-B2 Substituted benzoylureidopyridylpiperidine-and-pyrrolidinecarboxylic acid derivatives, processes for preparing them and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-10 — — US disclosed
EP-1603895-B1 SUBSTITUTED BENZOYLUREIDOPYRIDYL-PIPERIDINE AND -PYRROLIDINE CARBOXYLIC ACID DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2008-02-20 — — EP 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
WO-2004007437-A9 UREA-SUBSTITUTED AND URETHANE-SUBSTITUTED ACYLUREAS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA GMBH (DE) 2007-08-16 — — WO disclosed
US-20040157922-A1 Carboxyalkoxy-substituted acyl-carboxyphenylurea derivatives and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-12 — — US disclosed
US-20040152743-A1 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-05 — — 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-2004033416-A2 CARBOXYALKOXY-SUBSTITUTED ACYL-CARBOXYPHENYL-UREA DERIVATIVES, PRODUCTION METHOD AND USE THEREOF AS MEDICINE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-04-22 — — WO 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-2004007455-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-22 — — WO disclosed
US-4782091-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1988-11-01 — — US disclosed
US-4711905-A 2,4-dihalogenobenzoyl-(thio)urea insecticides BAYER AKTIENGESELLSCHAFT (DE) 1987-12-08 — — US disclosed
EP-0093976-B1 2,4-DIHALOGENBENZOYL UREAS AND THIOUREAS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1986-09-10 — — EP disclosed
EP-0093976-A1 2,4-Dihalogenbenzoyl ureas and thioureas, processes for their preparation and their use as pesticides BAYER AG (DE) 1983-11-16 — — 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 (4 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-20040157922-A1 Carboxyalkoxy-substituted acyl-carboxyphenylurea derivatives and their use as medicaments CPS1, DPP4, ACAA2 HPGD 2769/4885NPC1 1709/4885RAB9A 4777/4885
US-20040087659-A1 Urea- and urethane-substituted acylureas, process for their preparation and their use UGP2, UGDH, UGT1A1 HPGD 996/4885NPC1 1871/4885RAB9A 4087/4885
US-20080033042-A1 UREA-AND URETHANE-SUBSTITUTED ACYLUREAS, PROCESS FOR THEIR PREPARATION AND THEIR USE UGP2, UGDH, UMPS HPGD 918/4885NPC1 2266/4885RAB9A 4077/4885
US-20040152743-A1 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals SLC5A2, CYP1B1, CYP2C19 HPGD 482/4885NPC1 2636/4885RAB9A 3334/4885

“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.

Send feedback