SCHEMBL20810060

SCHEMBL20810060

O=C(OCc1cc(-c2ccc(C(F)(F)F)cc2)no1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 4/20 0.46
▸ PPARD Q03181 1/20 0.45
▸ TSPO P30536 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ TMEM97 Q5BJF2 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ ALKBH5 Q6P6C2 2/20 0.42
▸ PTGS2 P35354 2/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ SPHK2 Q9NRA0 1/20 0.38
▸ SMPD1 P17405 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
SCHEMBL20810200 0.93 PPARD (0.41) P2RY14PPARDTSPOCYP2C9TMEM97
SCHEMBL20810056 0.92 NPC1 (0.46) ALDH1A1MAPT
SCHEMBL20810062 0.91 SMN1; SMN2 (0.47) CYP2C9ALDH1A1MAPT
SCHEMBL20810198 0.91 MAPT (0.42) P2RY14PPARDALDH1A1MAPTALKBH5
SCHEMBL20810199 0.91 MAPT (0.53) ALDH1A1MAPTTDP1
SCHEMBL20810197 0.90 MAPT (0.41) PPARDALDH1A1MAPTALKBH5
SCHEMBL20810053 0.89 SMN1; SMN2 (0.50) CYP2C9ALDH1A1MAPTTDP1
SCHEMBL20809999 0.84 LMNA (0.46) P2RY14PPARDTSPOCYP2C9TMEM97
SCHEMBL20810149 0.83 TDP1 (0.51) P2RY14PPARDTSPOCYP2C9TMEM97
SCHEMBL20810054 0.82 TDP1 (0.49) PPARDMAPTTDP1

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-20190077777-A1 NICOTINIC ACID DERIVATIVES, THEIR PREPARATION AND THE USE THEREOF XIAMEN INSTITUTE OF RARE EARTH MATERIALS (CN) 2019-03-14 — — 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-20190077777-A1 NICOTINIC ACID DERIVATIVES, THEIR PREPARATION AND THE USE THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR3, NAPRT P2RY14 3635/4885PPARD 3049/4885TSPO 3840/4885

“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.

Send feedback