SCHEMBL3753481

SCHEMBL3753481

O=C(O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)nc1Oc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORB Q92753 2/20 0.46
KMO O15229 1/20 0.42
NOTUM Q6P988 4/20 0.40
EIF4E P06730 5/20 0.40
RORC P51449 1/20 0.40
RAB9A P51151 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL3751995 0.86 SCN9A (0.44) RORC
SCHEMBL3759594 0.85 RORB (0.48) RORBKMORORC
SCHEMBL13054024 0.84 ALDH1A1 (0.43) KMOEIF4EPPARA
SCHEMBL3755086 0.83 SMN1; SMN2 (0.46) RAB9A
SCHEMBL3752621 0.83 ALDH1A1 (0.54) PPARA
SCHEMBL3752101 0.82 SMN1; SMN2 (0.47) KMORAB9A
SCHEMBL3753774 0.82 RORB (0.40) RORBNOTUM
SCHEMBL3759839 0.82 HPGDS (0.42) KMO
SCHEMBL3745600 0.82 KMO (0.47) KMO
SCHEMBL3758235 0.81 DHODH (0.44) KMOEIF4E

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
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
WO-2008031501-A2 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-20 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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 RORB 3281/4885KMO 533/4885NOTUM 1186/4885

“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.