SCHEMBL5514599

SCHEMBL5514599

C[C@H](/C=C/c1cc(F)ccc1F)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
DPP4 P27487 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
TRPM8 Q7Z2W7 2/20 0.38
ATM Q13315 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
SCHEMBL5514603 1.00 NFE2L2 (0.43) NFE2L2MEN1KMT2ADPP4DPP9
SCHEMBL531446 0.72 MEN1 (0.57) MEN1KMT2AALDH1A1ATM
SCHEMBL22323298 0.72 MEN1 (0.57) MEN1KMT2AALDH1A1ATM
SCHEMBL4473656 0.72 MEN1 (0.57) MEN1KMT2AALDH1A1ATM
SCHEMBL8600067 0.68 NFE2L2 (0.50) NFE2L2ALDH1A1
SCHEMBL1701279 0.68 KMT2A (0.76) MEN1KMT2AALDH1A1ATM
SCHEMBL531228 0.67 MEN1 (0.48) MEN1KMT2AALDH1A1TDP1TRPM8
SCHEMBL835621 0.67 ACHE (0.42) MEN1KMT2ATRPM8
SCHEMBL8968793 0.67 ALOX5 (0.47) MEN1KMT2AALDH1A1
Benzoquinone SCHEMBL28168482 0.66 MEN1 (0.50) MEN1KMT2AALDH1A1ATM

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-7205331-B2 Fungicidal carboxamides BASARAB GREGORY STEVEN 2007-04-17 US disclosed
US-7135585-B2 Fungicidal carboxamides BASARAB GREGORY STEVEN 2006-11-14 US disclosed
US-20060178425-A1 FUNGICIDAL CARBOXAMIDES BASARAB GREGORY S 2006-08-10 US disclosed
US-6642392-B1 Pyrrole derivatives BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2003-11-04 US disclosed
US-6251947-B1 CERTAIN N-(ARYLPROPYL), N-(ARYLOXYETHYL), AND N-(ARYLALLYL)-CARBOXAMIDES, THEIR AGRICULTURALLY SUITABLE SALTS USED AS FUNGICIDE TO CONTROL PLANT DISEASE BY APPLYING AN EFFECTIVE AMOUNT ON THE PLANT BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2001-06-26 US 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-20060178425-A1 FUNGICIDAL CARBOXAMIDES CBR3, CBR1, CYC1 NFE2L2 4186/4885MEN1 1516/4885KMT2A 2929/4885

“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.