SCHEMBL3753490

SCHEMBL3753490

O=C(O)c1ccc(-c2cc(F)cc(F)c2)nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
LDHA P00338 2/20 0.44
DHODH Q02127 3/20 0.43
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KMO O15229 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.39
EIF4E P06730 2/20 0.38
GAA P10253 1/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CASP7 P55210 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL15630525 0.85 DHODH (0.54) KEAP1NFE2L2DHODHALDH1A1SMN1; SMN2
SCHEMBL3758452 0.81 KMO (0.58) KEAP1NFE2L2ALDH1A1SMN1; SMN2KMO
SCHEMBL29862268 0.80 LDHA (0.47) KEAP1NFE2L2LDHADHODHSMN1; SMN2
SCHEMBL17646752 0.80 LDHA (0.47) KEAP1NFE2L2LDHADHODHSMN1; SMN2
SCHEMBL10900818 0.80 ALDH1A1 (0.64) KEAP1NFE2L2LDHADHODHALDH1A1
SCHEMBL13053992 0.79 NPC1 (0.39) KEAP1NFE2L2LDHASMN1; SMN2RAB9A
SCHEMBL17498353 0.77 KMO (0.56) KEAP1NFE2L2DHODHALDH1A1KMO
SCHEMBL7231988 0.75 MAP4K4 (0.37) LDHAALDH1A1SMN1; SMN2KMOHPGD
SCHEMBL19220973 0.75 SMN1; SMN2 (0.71) KEAP1NFE2L2DHODHALDH1A1SMN1; SMN2
SCHEMBL17650473 0.74 KEAP1 (0.49) KEAP1NFE2L2DHODHALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 KEAP1 2275/4885NFE2L2 573/4885LDHA 2558/4885

“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.