SCHEMBL3575166

SCHEMBL3575166

O=C(Nc1ccc(NC(=O)C(F)(F)F)c2cnccc12)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.42
▸ MAOB P27338 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ RAD51 Q06609 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL618043 0.76 TRPV1 (0.59) TRPV1ALDH1A1MAPTMEN1KMT2A
SCHEMBL896721 0.76 GAA (0.49) TRPV1MAOBROCK2NPC1RAB9A
SCHEMBL3571903 0.76 EP300 (0.44) TRPV1MAPTJAK2TP53HTT
SCHEMBL25234153 0.74 RAB9A (0.56) TRPV1MAOBROCK2NPC1RAB9A
SCHEMBL3575125 0.72 MEN1 (0.46) TRPV1NPC1RAB9ANPSR1ALDH1A1
SCHEMBL360914 0.71 KMT2A (0.51) ROCK2ALDH1A1CYP1A2MAPTCYP19A1
SCHEMBL896819 0.71 MEN1 (0.57) TRPV1MAOBROCK2NPC1RAB9A
SCHEMBL896640 0.71 KMT2A (0.51) ROCK2ALDH1A1CYP1A2MAPTCYP19A1
SCHEMBL8154848 0.71 TRPV1 (0.66) TRPV1MAOBNPC1RAB9ANPSR1
SCHEMBL15890250 0.69 KMT2A (0.53) ALDH1A1MAPTKMT2AKDM4EGLA

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-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 — — US disclosed
US-20060270693-A1 Ether derivative AJINOMOTO CO., INC. (JP) 2006-11-30 — — US disclosed
EP-1679296-A1 ETHER DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-07-12 — — EP 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-20060270693-A1 Ether derivative UROD, IL5, IL17A TRPV1 30/4885MAOB 3702/4885ROCK2 4409/4885

“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.

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