SCHEMBL25979186

SCHEMBL25979186

CNc1cc(C(C)C)on1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 18/20 0.43
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 3/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CYP2D6 P10635 1/20 0.37
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL22328205 0.76 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL11645370 0.73 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL11119241 0.73 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL19258707 0.71 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL85820 0.70 GRM5 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL468941 0.70
SCHEMBL1209106 0.70
Isouron SCHEMBL11230193 0.69 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL11401437 0.69 FDPS (0.47) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL13430874 0.69 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2

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-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 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-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 SMN1; SMN2 2298/4885NPC1 859/4885RAB9A 876/4885

“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.