SCHEMBL3753412

SCHEMBL3753412

O=C(O)c1cc(F)c(-c2ccc(C(F)(F)F)cc2)nc1Oc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.42
KMT2A Q03164 1/20 0.41
NTRK1 P04629 2/20 0.41
NTRK2 Q16620 1/20 0.41
CTSA P10619 1/20 0.41
IDO1 P14902 1/20 0.40
SCN9A Q15858 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
BACE1 P56817 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 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
SCHEMBL3747116 0.90 RORB (0.46) DHODHCTSA
SCHEMBL13054043 0.89 IDO1 (0.49) DHODHIDO1
SCHEMBL3747102 0.88 NTRK1 (0.39) DHODHKMT2ANTRK1NTRK2CTSA
SCHEMBL8212696 0.87 NTRK1 (0.38) DHODHKMT2ANTRK1NTRK2CTSA
SCHEMBL3763489 0.85 CTSA (0.44) DHODHCTSAIDO1
SCHEMBL13054041 0.83 AKR1C2 (0.44) DHODHCTSAIDO1
SCHEMBL3751995 0.81 SCN9A (0.44) KMT2ACTSASCN9ABACE1SCN8A
SCHEMBL3758404 0.78 RORB (0.43) KMT2ACTSA
SCHEMBL3745471 0.78 KEAP1 (0.54) DHODHNTRK1NTRK2
SCHEMBL5119039 0.77 TDP1 (0.52) KMT2A

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 DHODH 1528/4885KMT2A 1678/4885NTRK1 1828/4885

“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.