SCHEMBL5050831

SCHEMBL5050831

COCCn1c(=N)sc2cc(S(C)(=O)=O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 8/20 0.53
HPGD P15428 6/20 0.53
NPSR1 Q6W5P4 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 2/20 0.53
RAB9A P51151 2/20 0.52
MDM2 Q00987 1/20 0.45
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 5/20 0.42
RXFP1 Q9HBX9 3/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 3/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL967835 0.79 NPSR1 (0.53) KDM4EALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL3386303 0.75 F12 (0.54) ALDH1A1HPGDSMN1; SMN2GAARAB9A
Bromide SCHEMBL964193 0.74 F12 (0.53) ALDH1A1HPGDSMN1; SMN2GAARAB9A
SCHEMBL5044103 0.72 ALDH1A1 (0.38) ALDH1A1HPGDNPSR1SMN1; SMN2RAB9A
Bromide SCHEMBL965108 0.71 ALDH1A1 (0.37) ALDH1A1HPGDNPSR1SMN1; SMN2RAB9A
SCHEMBL961855 0.71 KDM4E (0.59) KDM4EALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL961718 0.70 NPSR1 (0.42) ALDH1A1HPGDNPSR1SMN1; SMN2GAA
Bromide SCHEMBL964455 0.67 F12 (0.51) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL8660399 0.66 KCNQ3 (0.42) ALDH1A1SMN1; SMN2GAARAB9AMAPT
SCHEMBL9471605 0.65 KCNQ3 (0.41) ALDH1A1SMN1; SMN2GAARAB9AMAPT

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 KDM4E 3198/4885ALDH1A1 81/4885HPGD 676/4885

“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.