SCHEMBL5047349

SCHEMBL5047349

COCCN1C=C(C)SC1C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.34
▸ KDM4E B2RXH2 8/20 0.34
▸ GAA P10253 6/20 0.34
▸ GLA P06280 5/20 0.34
▸ HPGD P15428 5/20 0.34
▸ HSD17B10 Q99714 4/20 0.34
▸ CASP1 P29466 3/20 0.34
▸ CASP7 P55210 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ ATM Q13315 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ XIAP P98170 1/20 0.33
▸ PLEC Q15149 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL3918304 0.84 ALDH1A1 (0.36) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL5044110 0.84 ALDH1A1 (0.39) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL5047399 0.74 KDM4E (0.37) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL5049714 0.71 RECQL (0.37) L3MBTL1MEN1KMT2ARECQL
SCHEMBL3418222 0.66 SMN1; SMN2 (0.37) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL3386305 0.66 BCHE (0.41) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL5044112 0.65 KDM4E (0.35) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL3419179 0.63 KDM4E (0.33) ALDH1A1KDM4EHPGDHSD17B10PARP1
SCHEMBL28116603 0.61 IKBKB (0.33) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL11972563 0.58 OPRM1 (0.35) ALDH1A1KDM4EGAAGLAHPGD

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-2024349-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2017-08-02 — — EP disclosed
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 — — 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-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection OPRL1, OPRK1, OPRD1 ALDH1A1 81/4885KDM4E 3198/4885GAA 2510/4885

“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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