SCHEMBL2916178

SCHEMBL2916178

CN=C(SC)N(Cc1cc(-c2cccc(Cl)c2)on1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A9 P48067 1/20 0.41
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 2/20 0.38
THRB P10828 1/20 0.38
USP30 Q70CQ3 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPT P10636 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
SCHEMBL2916174 1.00 TP53 (0.41) TP53SMN1; SMN2SLC6A9NPC1RAB9A
SCHEMBL8041934 1.00 TP53 (0.41) TP53SMN1; SMN2SLC6A9NPC1RAB9A
SCHEMBL3365444 0.85 TP53 (0.49) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3365446 0.85 TP53 (0.49) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2902577 0.83 ALDH1A1 (0.43) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13871030 0.83 ALDH1A1 (0.43) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2902575 0.83 ALDH1A1 (0.43) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3368618 0.82 LMNA (0.57) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3368622 0.82 LMNA (0.57) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2898819 0.80 TP53 (0.46) TP53SMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212316-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 AstraZeneca AB (SE) 2010-08-04 EP claimed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
WO-2009054794-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO claimed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 TP53 4884/4885SMN1; SMN2 1719/4885SLC6A9 564/4885

“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.