SCHEMBL1275432

SCHEMBL1275432

O=C(Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Br)c1ccc(-n2cncn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ALDH1A1 P00352 4/20 0.47
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
S1PR1 P21453 4/20 0.41
S1PR3 Q99500 4/20 0.41
ROCK1 Q13464 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
ELOVL6 Q9H5J4 1/20 0.38
GRM7 Q14831 1/20 0.38
S1PR2 O95136 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
SCHEMBL31633648 0.89 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19RAB9ARXFP1
SCHEMBL1274616 0.88 RAB9A (0.52) CYP1A2CYP2C9CYP2C19RAB9ARXFP1
SCHEMBL299864 0.85 RAB9A (0.49) CYP1A2CYP2C9CYP2C19RAB9ARXFP1
SCHEMBL31633646 0.85 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL1274965 0.83 RAB9A (0.47) CYP1A2CYP2C9CYP2C19RAB9ARXFP1
SCHEMBL31633659 0.81 MAPT (0.59) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL298806 0.80 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL31633662 0.80 MAPT (0.47) RAB9AMAPTKDM4ELMNANPC1
SCHEMBL14562904 0.79 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19RAB9ARXFP1
SCHEMBL298937 0.78 RAB9A (0.45) CYP1A2CYP2C9CYP2C19RAB9ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3153497-A2 PESTICIDAL CARBOXAMIDES Bayer Cropscience AG (DE) 2017-04-12 EP disclosed
US-9227923-B2 Pesticidal carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
US-9227923-B2 Pesticidal carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
EP-2464624-A2 PESTICIDAL CARBOXAMIDES Bayer CropScience AG (DE) 2012-06-20 EP disclosed
US-20120149910-A1 Pesticidal Carboxamides BAYER CROPSCIENCE AG (DE) 2012-06-14 US disclosed
US-20120149910-A1 Pesticidal Carboxamides BAYER CROPSCIENCE AG (DE) 2012-06-14 US disclosed
WO-2011018170-A2 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2011-02-17 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-20120149910-A1 Pesticidal Carboxamides DDT, ACHE, AADAC CYP1A2 338/4885CYP2C9 258/4885CYP2C19 472/4885

“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.