SCHEMBL6976627

SCHEMBL6976627

NNc1c(F)cc(Cl)cc1F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
IDO1 P14902 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL2950412 0.84 MAPT (0.40) IDO1HPGD
SCHEMBL360584 0.78 MAPT (0.44) RAPGEF4ALDH1A1
Hydrochloric Acid SCHEMBL3843882 0.76 MAPT (0.42) IDO1RAPGEF4ALDH1A1
Bromide SCHEMBL20984180 0.76 MAPT (0.42) RAPGEF4ALDH1A1
SCHEMBL14553859 0.74 RAPGEF4 (0.45) TSHRRAPGEF4ALDH1A1
SCHEMBL27995398 0.74 TSHR (0.35) TSHRRAPGEF4ALDH1A1CYP1A2CYP2C9
SCHEMBL20856494 0.73 CA1 (0.33) TSHRALDH1A1
SCHEMBL1997250 0.72 ALDH1A1 (0.45) TSHRTP53CYP3A4IDO1RAPGEF4
Hydrochloric Acid SCHEMBL28391176 0.72 MAP2K2 (0.30)
Bromide SCHEMBL20984465 0.70 ALDH1A1 (0.43) TSHRTP53CYP3A4IDO1RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3126335-B1 N-(1-(HETERO)ARYL-1H-PYRAZOL-4-YL)-(HETERO)ARYLAMIDE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2020-07-08 EP disclosed
US-9815792-B2 Method for producing carboxamides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-14 US disclosed
US-9815792-B2 Method for producing carboxamides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-14 US disclosed
US-9815792-B2 Method for producing carboxamides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-14 US disclosed
EP-3126335-A1 N-(1-(HETERO)ARYL-1H-PYRAZOL-4-YL)-(HETERO)ARYLAMIDE DERIVATIVES AND USE THEREOF AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2017-02-08 EP disclosed
US-20170022168-A1 METHOD FOR PRODUCING CARBOXAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-01-26 US disclosed
US-20170022168-A1 METHOD FOR PRODUCING CARBOXAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-01-26 US disclosed
WO-2015150300-A1 N-(1-(HETERO)ARYL-1H-PYRAZOL-4-YL)-(HETERO)ARYLAMIDE DERIVATIVES AND USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2015-10-08 WO disclosed
WO-2015150300-A1 N-(1-(HETERO)ARYL-1H-PYRAZOL-4-YL)-(HETERO)ARYLAMIDE DERIVATIVES AND USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2015-10-08 WO disclosed
EP-1200428-B1 SUBSTITUTED BENZOXAZOLES BASF AG (DE) 2003-04-16 EP disclosed
EP-1200428-A1 SUBSTITUTED BENZOXAZOLES BASF AKTIENGESELLSCHAFT (DE) 2002-05-02 EP disclosed
WO-2001012625-A2 SUBSTITUTED BENZOXAZOLES BASF AKTIENGESELLSCHAFT (DE) 2001-02-22 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-20170022168-A1 METHOD FOR PRODUCING CARBOXAMIDES AADAC, CPS1, NAAA TSHR 3595/4885TP53 4857/4885CYP3A4 226/4885

“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.