SCHEMBL4499514

SCHEMBL4499514

C=C1NC(=O)C(c2ccccc2O)S1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.42
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ DDB1 Q16531 2/20 0.37
▸ CRBN Q96SW2 2/20 0.37
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ APP P05067 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35

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
SCHEMBL14622471 0.75 CA2 (0.67) CA2KMT2AMEN1GAAMAPT
SCHEMBL8933506 0.73 CA2 (0.30) CA2DDB1CRBN
SCHEMBL6381006 0.66 KDM4E (0.45) CA2KMT2AMEN1GAAMAPT
SCHEMBL16469006 0.66 CA2 (0.58) CA2GAAMAPTDDB1CRBN
SCHEMBL15421725 0.64 CA2 (0.47) CA2KMT2AMEN1GAAMAPT
SCHEMBL11336562 0.63 TSHR (0.39) KMT2AMEN1GAAMAPTDDB1
SCHEMBL11566163 0.63 TDP1 (0.52) CA2KMT2AMEN1GAAMAPT
SCHEMBL6277589 0.63 TDP1 (0.52) CA2KMT2AMEN1GAAMAPT
SCHEMBL9227199 0.63 MEN1 (0.52) CA2KMT2AMEN1GAAMAPT
SCHEMBL9818019 0.62 IDO1 (0.61) DDB1CRBNALDH1A1CYP2C19

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-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 — — 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-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS OPRL1, OPRK1, AHR CA2 1189/4885KMT2A 1752/4885MEN1 4697/4885

“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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