SCHEMBL13752348

SCHEMBL13752348

[2H]c1c([2H])c([2H])c(Oc2ccc(Cl)cc2C(C)=O)c([2H])c1[2H]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.43
PPARG P37231 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SCN8A Q9UQD0 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PNLIP P16233 2/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38
PTGER4 P35408 2/20 0.37
KCNMA1 Q12791 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGER2 P43116 1/20 0.37

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
SCHEMBL7861651 0.83 KMT2A (0.55) KMT2AALDH1A1MAPTNPC1RAB9A
SCHEMBL9948495 0.80 CYP1A2 (0.54) KMT2AALDH1A1CYP3A4PNLIPTP53
SCHEMBL6447800 0.76 TTR (0.56) KMT2AALDH1A1MAPTNPC1RAB9A
SCHEMBL364764 0.74 ALDH1A1 (0.65) KMT2AALDH1A1MAPTNPC1RAB9A
SCHEMBL3691064 0.73 KMT2A (0.61) KMT2AALDH1A1MAPTNPC1RAB9A
SCHEMBL3045049 0.71 KMT2A (0.52) KMT2AALDH1A1MAPTNPC1RAB9A
SCHEMBL11786141 0.70 KMT2A (0.51) KMT2AALDH1A1MAPTNPC1RAB9A
SCHEMBL29089181 0.70 PNLIP (0.50) KMT2AALDH1A1MAPTSCN8ASCN10A
SCHEMBL363918 0.69 ALDH1A1 (0.65) ALDH1A1MAPTRAB9ACYP3A4KDM4E
SCHEMBL29518159 0.69 ALDH1A1 (0.65) ALDH1A1MAPTRAB9ACYP3A4KDM4E

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-20090209608-A1 DEUTERIUM-ENRICHED ASENAPINE PROTIA, LLC (US) 2009-08-20 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-20090209608-A1 DEUTERIUM-ENRICHED ASENAPINE NSD2, DRD2, SNRPD2 KMT2A 1823/4885ALDH1A1 1644/4885MAPT 1733/4885

“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.