SCHEMBL3751995

SCHEMBL3751995

O=C(O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1Oc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.44
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
RORC P51449 1/20 0.40
BACE1 P56817 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSA P10619 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
CYP2C8 P10632 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3755086 0.88 SMN1; SMN2 (0.46) SCN9AKMT2AALDH1A1MAPTKDM4E
SCHEMBL3759594 0.88 RORB (0.48) SCN9AKMT2AALDH1A1MAPTRORC
SCHEMBL3752621 0.88 ALDH1A1 (0.54) KMT2AALDH1A1MAPTTP53KDM4E
SCHEMBL3752101 0.87 SMN1; SMN2 (0.47) ALDH1A1MAPTTP53KDM4EHPGD
SCHEMBL3753481 0.86 RORB (0.46) RORC
SCHEMBL3762196 0.81 ALDH1A1 (0.41) KMT2AALDH1A1MAPTTP53HPGD
SCHEMBL3753412 0.81 DHODH (0.42) SCN9AKMT2ABACE1CTSASCN8A
SCHEMBL3750086 0.81 KMT2A (0.44) SCN9AKMT2AMAPTHPGDCYP2C19
SCHEMBL13054024 0.81 ALDH1A1 (0.43) ALDH1A1MAPTTP53SMN1; SMN2NPSR1
SCHEMBL14931892 0.80 POLB (0.51) SCN9AALDH1A1MAPTTP53POLB

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 4 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
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 SCN9A 2416/4885KMT2A 1678/4885ALDH1A1 1855/4885

“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.