SCHEMBL163538

SCHEMBL163538

O=C=Nc1c(Cl)cccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
TYK2 P29597 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
P2RX7 Q99572 1/20 0.34
PYCR1 P32322 1/20 0.34
PTGS2 P35354 1/20 0.34
LDHA P00338 3/20 0.33
LDHB P07195 3/20 0.33
HSD11B1 P28845 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL28211238 0.87 GABRA1 (0.45) GABRA1GABRB2TDP1KDM4EMEN1
SCHEMBL2305327 0.82 GABRA1 (0.42) GABRA1GABRB2TYK2SLC22A12TDP1
SCHEMBL326586 0.80 GABRA1 (0.56) GABRA1GABRB2MAPK1TDP1MEN1
SCHEMBL158739 0.80 GABRA1 (0.40) GABRA1GABRB2SLC22A12KDM4EPTGS2
SCHEMBL28113846 0.80 PDE2A (0.33) MAPK1TDP1MEN1KMT2AALDH1A1
SCHEMBL14256901 0.79 PTGS2 (0.39) TYK2SLC22A12KDM4EMEN1KMT2A
SCHEMBL10613040 0.79 GABRA1 (0.68) GABRA1GABRB2MAPK1CYP3A4SMN1; SMN2
SCHEMBL75037 0.79 GABRA1 (0.43) GABRA1GABRB2TDP1KDM4EMEN1
SCHEMBL374747 0.79 MAPK1 (0.39) GABRA1GABRB2MAPK1TDP1P2RX7
SCHEMBL1513863 0.76 CYP3A4 (0.47) GABRA1GABRB2MAPK1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461034-B1 SUBSTITUTED IMIDAZOLIDINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A DRUG OR FOR DIAGNOSIS, AND DRUG CONTAINING SUBSTITUTED IMIDAZOLIDINES SANOFI AVENTIS DEUTSCHLAND (DE) 2006-11-22 EP claimed
EP-1461034-A1 SUBSTITUTED IMIDAZOLIDINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A DRUG OR FOR DIAGNOSIS, AND DRUG CONTAINING SUBSTITUTED IMIDAZOLIDINES Aventis Pharma Deutschland GmbH (DE) 2004-09-29 EP claimed
WO-2003053434-A1 SUBSTITUTED IMIDAZOLIDINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A DRUG OR FOR DIAGNOSIS, AND DRUG CONTAINING SUBSTITUTED IMIDAZOLIDINES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-07-03 WO claimed
CN-107849816-B Method for treating paperboard and paper media and related treated paperboard and paper media 巴斯夫欧洲公司 2021-07-09 CN disclosed
CN-106232667-B Polyiso-ureas 巴斯夫欧洲公司 2020-01-07 CN disclosed
US-20180298557-A1 METHODS FOR TREATING PAPERBOARDS AND PAPER MEDIA, AND ASSOCIATED TREATED PAPERBOARDS AND PAPER MEDIA BASF CORPORATION 2018-10-18 US disclosed
EP-3107946-B1 A POLYISO-UREA BASF SE (DE) 2018-08-08 EP disclosed
US-9982083-B2 Polyiso-urea BASF SE (DE) 2018-05-29 US disclosed
EP-3298194-A2 METHODS FOR TREATING PAPERBOARDS AND PAPER MEDIA, AND ASSOCIATED PAPERBOARDS AND PAPER MEDIA BASF SE (DE) 2018-03-28 EP disclosed
US-20170058075-A1 POLYISO-UREA BASF SE (DE) 2017-03-02 US disclosed
US-20170058074-A1 POST-MODIFIED POLYCARBODIIMIDES BASF SE (DE) 2017-03-02 US disclosed
US-20050004198-A1 Substituted imidazolidines, process for their preparation, and their use as a medicament or diagnostic, and medicament comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (US) 2005-01-06 US disclosed
EP-1461034-A1 SUBSTITUTED IMIDAZOLIDINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A DRUG OR FOR DIAGNOSIS, AND DRUG CONTAINING SUBSTITUTED IMIDAZOLIDINES Aventis Pharma Deutschland GmbH (DE) 2004-09-29 EP disclosed
US-6686384-B2 2-ANILINOPHENYL-SUBSTITUTED; INHIBITION OF THE NA+/H+ EXCHANGER AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-03 US disclosed
US-20030191170-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them AVENTIS PHARMA DEUTSCHLAND GMBH 2003-10-09 US disclosed
US-20030187045-A1 Substituted imidazolidines, process for their preparation, and their use as a medicament or diagnostic AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-02 US disclosed
EP-1341770-A1 SUBSTITUTED 2-ANILINO-BENZIMIDAZOLES AND THE USE THEREOF AS NHE-INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2003-09-10 EP disclosed
WO-2003053434-A1 SUBSTITUTED IMIDAZOLIDINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A DRUG OR FOR DIAGNOSIS, AND DRUG CONTAINING SUBSTITUTED IMIDAZOLIDINES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-07-03 WO disclosed
US-20020132842-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-09-19 US disclosed
WO-2002046169-A1 SUBSTITUTED 2-ANILINO-BENZIMIDAZOLES AND THE USE THEREOF AS NHE-INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-13 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 (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-20030187045-A1 Substituted imidazolidines, process for their preparation, and their use as a medicament or diagnostic CHRM1, ARG2, ACHE GABRA1 1949/4885GABRB2 3244/4885TYK2 4209/4885
US-20050004198-A1 Substituted imidazolidines, process for their preparation, and their use as a medicament or diagnostic, and medicament comprising them ACHE, CHRM1, CHRM3 GABRA1 1594/4885GABRB2 2077/4885TYK2 4394/4885
US-20030191170-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them ABCB11, ATP1A2, ATP1A1 GABRA1 359/4885GABRB2 652/4885TYK2 4528/4885
US-20020132842-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them ABCB11, ATP1A2, ATP1A1 GABRA1 359/4885GABRB2 652/4885TYK2 4528/4885

“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.