SCHEMBL9900076

SCHEMBL9900076

NCc1cccc(N(C(=O)O)C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.41
ENPP2 Q13822 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
LOXL2 Q9Y4K0 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR2C P28335 1/20 0.38
PNMT P11086 1/20 0.37
CFD P00746 2/20 0.37
PTPN1 P18031 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL666092 0.84 LOXL2 (0.43) ENPP2CRHBPCRHR2LOXL2CYP1A2
SCHEMBL9900418 0.80 LOXL2 (0.40) KLKB1ENPP2CRHBPCRHR2LOXL2
SCHEMBL16274690 0.76 CRHBP (0.46) ENPP2CRHBPCRHR2LOXL2CYP1A2
SCHEMBL1008397 0.75 NPSR1 (0.44) CRHBPCRHR2CYP2C9TSHRCYP2C19
Carbamic Acid SCHEMBL1013200 0.74 NPSR1 (0.40) CYP2C9TSHRCYP2C19KMT2AL3MBTL1
SCHEMBL8279007 0.74 GRM5 (0.45) KLKB1ENPP2LOXL2HTR2CNOS1
Hydrochloric Acid SCHEMBL4934804 0.73 GRM5 (0.44) KLKB1ENPP2LOXL2NOS3NOS1
SCHEMBL28276866 0.72 PNMT (0.44) KLKB1ENPP2CRHBPCRHR2LOXL2
SCHEMBL9899832 0.72 PDK1 (0.42) ENPP2KMT2ALMNAMEN1
SCHEMBL6624307 0.72 LOXL2 (0.40) KLKB1ENPP2LOXL2CYP1A2TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2649052-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION Boehringer Ingelheim International GmbH (DE) 2013-10-16 EP disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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 (1 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES KLKB1 3858/4885ENPP2 610/4885CRHBP 2185/4885

“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.