SCHEMBL2269868

SCHEMBL2269868

NC(=O)OC(=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
ALDH1A1 P00352 5/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
LMNA P02545 2/20 0.68
PKM P14618 1/20 0.65
CYP3A4 P08684 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
KDM4E B2RXH2 2/20 0.59
HPGD P15428 1/20 0.59
SLC6A2 P23975 1/20 0.56
FNTA P49354 1/20 0.56
FNTB P49356 1/20 0.56
MPO P05164 1/20 0.51
TSHR P16473 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
HIF1A Q16665 1/20 0.51

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
SCHEMBL4781191 0.83 MAPT (0.74) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL40822 0.82 MAPT (0.68) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29376364 0.82 MAPT (0.68) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3262116 0.82 MAPT (0.68) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6965640 0.81 MAPT (0.72) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29466101 0.81 PKM (0.73) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL584367 0.81 PKM (0.73) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27923847 0.81 MAPT (0.72) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL28736744 0.81 PKM (0.68) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4598405 0.81 MAPT (0.66) MAPTMEN1KMT2AALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190267-A1 PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE PHARMACEUTICALS, INC. (US) 2011-08-04 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-20110190267-A1 PRODRUGS OF OPIOIDS AND USES THEREOF OPRK1, OPRL1, OPRM1 MAPT 2248/4885MEN1 4826/4885KMT2A 1851/4885

“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.