SCHEMBL3426671

SCHEMBL3426671

O=C1N=C(N2CCCCC2)SC1=Cc1cccc(O)c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.72
ALDH1A1 P00352 4/20 0.72
MAPT P10636 3/20 0.72
HTT P42858 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.69
HPGD P15428 1/20 0.69
MEN1 O00255 7/20 0.65
RAB9A P51151 3/20 0.62
NPC1 O15118 3/20 0.62
ALOX5 P09917 1/20 0.59
IDE P14735 1/20 0.59
DCTPP1 Q9H773 1/20 0.58
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL3426669 1.00 KMT2A (0.72) KMT2AALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL4363340 0.88 ALDH1A1 (0.67) KMT2AALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL4363345 0.88 ALDH1A1 (0.67) KMT2AALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL13464888 0.85 KMT2A (0.76) KMT2AALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL13616323 0.85 RAB9A (0.76) KMT2AALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL15604194 0.84 KMT2A (0.74) KMT2AALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL4354203 0.83 ALDH1A1 (1.00) KMT2AALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL4354199 0.83 ALDH1A1 (1.00) KMT2AALDH1A1MAPTHTTSMN1; SMN2
Bromide SCHEMBL4346491 0.82 ALDH1A1 (0.97) KMT2AALDH1A1MAPTHTTSMN1; SMN2
Bromide SCHEMBL4346488 0.82 ALDH1A1 (0.97) KMT2AALDH1A1MAPTHTTSMN1; SMN2

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
EP-2250167-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS Chlorion Pharma, Inc. (CA) 2010-11-17 EP disclosed
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 US disclosed
WO-2009097695-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS CHLORION PHARMA, INC. (CA) 2009-08-13 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-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS OPRL1, OPRK1, AHR KMT2A 1752/4885ALDH1A1 211/4885MAPT 3804/4885

“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.