SCHEMBL29683986

SCHEMBL29683986

NC(=O)c1ccc(OCCO)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 4/20 0.62
▸ MKNK1 Q9BUB5 2/20 0.51
▸ MKNK2 Q9HBH9 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CHEK2 O96017 2/20 0.49
▸ MAPT P10636 1/20 0.47
▸ OPRK1 P41145 6/20 0.47
▸ OPRM1 P35372 5/20 0.47
▸ OPRD1 P41143 5/20 0.47
▸ GABRA1 P14867 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42

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
SCHEMBL23834721 1.00 NNMT (0.62) NNMTMKNK1MKNK2SMN1; SMN2CHEK2
SCHEMBL11551255 0.86 NNMT (0.62) NNMTMKNK1MKNK2SMN1; SMN2CHEK2
SCHEMBL19556489 0.84 MAPT (0.67) NNMTMAPTGABRA1L3MBTL1
SCHEMBL29585645 0.83 NNMT (0.68) NNMTMKNK1MKNK2SMN1; SMN2CHEK2
SCHEMBL15149527 0.83 PRSS1 (0.46) OPRK1OPRM1OPRD1KCNH2SLC6A2
SCHEMBL29789892 0.82 NNMT (0.61) NNMTMKNK1MKNK2SMN1; SMN2CHEK2
SCHEMBL1680864 0.82 NNMT (0.61) NNMTMKNK1MKNK2SMN1; SMN2CHEK2
SCHEMBL6953681 0.81 NNMT (0.59) NNMTMKNK1MKNK2MAPTOPRK1
SCHEMBL2817347 0.81 MAPT (0.72) NNMTMKNK1MKNK2SMN1; SMN2MAPT
SCHEMBL31752610 0.80 NNMT (0.54) NNMTMKNK1MKNK2SMN1; SMN2CHEK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452456-B1 BICYCLIC MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-05 — — EP disclosed
US-20220106281-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-04-07 — — 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-20220106281-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 NNMT 1541/4885MKNK1 73/4885MKNK2 63/4885

“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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