SCHEMBL22481354

SCHEMBL22481354

O=C(NCCO)c1ccccc1Nc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.52
▸ FTO Q9C0B1 9/20 0.50
▸ CXCL8 P10145 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HTT P42858 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46

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
SCHEMBL22481366 0.84 PTGS2 (0.48) PTGS2FTOCXCL8
SCHEMBL22481034 0.78 PTGS2 (0.46) PTGS2FTOCXCL8ALDH1A1KDM4E
SCHEMBL24021600 0.78 FTO (0.77) FTO
SCHEMBL23831486 0.76 DHODH (0.65) ALDH1A1KDM4EMAPTHTT
SCHEMBL27750343 0.76 NPC1 (0.68) ALDH1A1KDM4EMAPTHTTCASP1
SCHEMBL13143940 0.74 PTGS2 (0.53) PTGS2CXCL8ALDH1A1KDM4E
SCHEMBL13679149 0.74 PTGS2 (0.58) PTGS2CXCL8
SCHEMBL8894839 0.74 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTHTTCASP1
SCHEMBL1202680 0.74 ULK1 (0.53) PTGS2
SCHEMBL10748316 0.73 CRBN (0.56) ALDH1A1KDM4EMAPTHTTCASP1

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-20200308102-A1 MODULATORS OF POTASSIUM ION AND TRPV1 CHANNELS AND USES THEREOF RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2020-10-01 — — 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-20200308102-A1 MODULATORS OF POTASSIUM ION AND TRPV1 CHANNELS AND USES THEREOF TRPV1, TRPV2, TRPV5 PTGS2 573/4885FTO 3681/4885CXCL8 4067/4885

“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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