SCHEMBL20550255

SCHEMBL20550255

N#Cc1ccc(CC(=NN(C(N)=O)c2ccc(OC(F)F)cc2)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.41
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAOB P27338 1/20 0.37
P2RY1 P47900 1/20 0.37
RORC P51449 1/20 0.35
CCR2 P41597 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
NLRP3 Q96P20 1/20 0.34
DDR1 Q08345 1/20 0.34
NR4A2 P43354 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
RXRA P19793 1/20 0.33
RXRG P48443 1/20 0.33

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
SCHEMBL16166139 1.00 VNN1 (0.41) VNN1MAPTHTTSMN1; SMN2MEN1
SCHEMBL617626 0.90 VNN1 (0.42) VNN1MAOBP2RY1RORCCCR2
SCHEMBL1121810 0.81 SERPINE1 (0.37) VNN1MAOBMRGPRX4NLRP3RXRA
SCHEMBL9018845 0.81 VNN1 (0.39) VNN1SMN1; SMN2MEN1KMT2AMAOB
SCHEMBL28326410 0.80 MAPT (0.47) VNN1MAPTHTTSMN1; SMN2MEN1
SCHEMBL15309839 0.79 MAPT (0.56) VNN1MAPTHTTSMN1; SMN2MEN1
SCHEMBL19283732 0.79 MAPT (0.56) VNN1MAPTHTTSMN1; SMN2MEN1
SCHEMBL29908554 0.79 MAPT (0.56) VNN1MAPTHTTSMN1; SMN2MEN1
SCHEMBL15309841 0.79 MAPT (0.56) VNN1MAPTHTTSMN1; SMN2MEN1
SCHEMBL29488444 0.79 MAPT (0.56) VNN1MAPTHTTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057419-B1 AGRICULTURAL MIXTURES COMPRISING CARBOXAMIDE COMPOUND BASF AGROCHEMICAL PRODUCTS BV (NL) 2021-07-28 EP claimed
US-11076600-B2 Mixtures of cis-jasmone and bacillus amyloliquefaciens BASF SE (DE) 2021-08-03 US disclosed
US-20180317498-A1 Mixtures of Cis-Jasmone and Bacillus Amyloliquefaciens BASF SE (DE) 2018-11-08 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 (2 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-11076600-B2 Mixtures of cis-jasmone and bacillus amyloliquefaciens BAX, FASN, BAK1 VNN1 541/4885MAPT 3440/4885HTT 2965/4885
US-20180317498-A1 Mixtures of Cis-Jasmone and Bacillus Amyloliquefaciens BAX, FASN, BAK1 VNN1 541/4885MAPT 3440/4885HTT 2965/4885

“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.