SCHEMBL1121810

SCHEMBL1121810

N#Cc1cccc(C(Cc2ccc(C(F)(F)F)cc2)=NN(C(N)=O)c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.37
ALOX5 P09917 2/20 0.36
EPHX2 P34913 2/20 0.36
VNN1 O95497 2/20 0.36
MRGPRX4 Q96LA9 3/20 0.36
MAOB P27338 2/20 0.36
CCR5 P51681 1/20 0.36
HTR2C P28335 1/20 0.36
ABL1 P00519 1/20 0.35
NLRP3 Q96P20 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
PANK3 Q9H999 1/20 0.34
NTRK1 P04629 1/20 0.34
ITK Q08881 1/20 0.34
RXRA P19793 1/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL617626 0.91 VNN1 (0.42) SERPINE1VNN1MRGPRX4MAOBHTR2C
SCHEMBL9018845 0.82 VNN1 (0.39) VNN1MRGPRX4MAOBRXRARXRG
SCHEMBL16166139 0.81 VNN1 (0.41) VNN1MRGPRX4MAOBNLRP3RXRA
SCHEMBL20550255 0.81 VNN1 (0.41) VNN1MRGPRX4MAOBNLRP3RXRA
SCHEMBL8383717 0.76 SERPINE1 (0.43) SERPINE1VNN1MRGPRX4MAOBHTR2C
SCHEMBL8858575 0.75 KMT2A (0.39) SERPINE1ALOX5EPHX2MRGPRX4ABL1
SCHEMBL9508158 0.75 GRIN2B (0.47) MRGPRX4
SCHEMBL8858553 0.73 SERPINE1 (0.39) SERPINE1VNN1MRGPRX4MAOB
SCHEMBL9018901 0.73 PAX8 (0.42) VNN1MAOB
SCHEMBL8384515 0.72 HCRTR2 (0.42) SERPINE1VNN1MAOBHTR2C

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
US-8741324-B2 Liquid pesticide compositions BASF SE (DE) 2014-06-03 US disclosed
EP-1773121-B1 LIQUID PESTICIDE COMPOSITIONS BASF SE (DE) 2011-02-09 EP disclosed
US-20070184983-A1 Liquid pesticide compositions BASF SE (DE) 2007-08-09 US disclosed
EP-1773121-A1 LIQUID PESTICIDE COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2007-04-18 EP disclosed
WO-2006002984-A1 LIQUID PESTICIDE COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2006-01-12 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-20070184983-A1 Liquid pesticide compositions CBR3, BBC3, DDT SERPINE1 3371/4885ALOX5 1020/4885EPHX2 604/4885

“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.