SCHEMBL3335579

SCHEMBL3335579

C=CCc1c(F)cccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
MAPK1 P28482 3/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 4/20 0.41
GPR35 Q9HC97 2/20 0.40
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSPB1 P04792 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 3/20 0.37
ATM Q13315 1/20 0.37
ERN1 O75460 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL10923400 0.88 TDP1 (0.48) MAPTMAPK1TDP1GPR35ALDH1A1
SCHEMBL29401517 0.85 MAPT (0.43) MAPTMAPK1POLBTDP1GPR35
SCHEMBL16147716 0.85 MAPT (0.43) MAPTMAPK1POLBTDP1GPR35
SCHEMBL10229496 0.81 ALDH1A1 (0.44) MAPTMAPK1TDP1GPR35ALDH1A1
SCHEMBL27431911 0.80 TDP1 (0.41) MAPTMAPK1POLBTDP1ALDH1A1
SCHEMBL11668086 0.80 SMN1; SMN2 (0.42) MAPTMAPK1POLBTDP1GPR35
SCHEMBL3258910 0.80 GPR35 (0.51) MAPTMAPK1POLBTDP1GPR35
SCHEMBL28490813 0.80 GPR35 (0.41) MAPTMAPK1POLBTDP1GPR35
SCHEMBL27780340 0.78 MAPT (0.43) MAPTMAPK1POLBTDP1GPR35
SCHEMBL9221316 0.78 TAAR1 (0.39) POLBALDH1A1SMN1; SMN2RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134170-B1 FLUORALKYLPHENYLAMIDINES AND THEIR USE AS FUNGICIDES BAYER IP GMBH (DE) 2015-06-03 EP claimed
US-20100093534-A1 FLUORALKYLPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-15 US claimed
US-20010033814-A1 Novel solvent for the simultaneous recovery of radionuclides from liquid radioactive wastes ROMANOVSKIY VALERIY NICHOLIAVI (RU) 2001-10-25 US claimed
US-6258333-B1 EXTRACTING REAGENT COMPRISING COMPLEX ORGANOBORON COMPOUNDS, SUBSTITUTED POLYETHYLENE GLYCOLS, AND NEUTRAL ORGANOPHOSPHORUS COMPOUNDS IN DILUENT TO RECOVER CESIUM, STRONTIUM, RARE EARTHS AND ACTINIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY 2001-07-10 US claimed
US-8299301-B2 Fluoralkylphenylamidines and the use thereof as fungicides BAYER CROPSCIENCE AG (DE) 2012-10-30 US disclosed
US-20100093534-A1 FLUORALKYLPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-15 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-20100093534-A1 FLUORALKYLPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES PFAS, DDT, PAH MAPT 2807/4885MAPK1 2645/4885POLB 3121/4885

“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.