SCHEMBL3095281

SCHEMBL3095281

Cc1cc(C)cc(CN2C=CCO2)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GPR183 P32249 1/20 0.31

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
SCHEMBL9572743 0.64
SCHEMBL1263262 0.62
SCHEMBL3853469 0.62
SCHEMBL13803959 0.62 MAPT (0.56) ALDH1A1MAPTHTTRAB9A
SCHEMBL15872041 0.61 HRH3 (0.54) KMT2AALDH1A1
SCHEMBL28210885 0.60 CYP11B1 (0.37) CYP11B1CYP11B2KMT2AALDH1A1LMNA
SCHEMBL3352630 0.60 HRH3 (0.58) ALDH1A1HTT
SCHEMBL18753614 0.59 LMNA (0.58) ALDH1A1LMNAMAPTGPR183
SCHEMBL7957840 0.59 CYP11B1 (0.57) CYP11B1CYP11B2KMT2AALDH1A1LMNA
SCHEMBL10701191 0.58 ALDH1A1 (0.44) CYP11B1CYP11B2KMT2AALDH1A1LMNA

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-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 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-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 CYP11B1 1640/4885CYP11B2 864/4885KMT2A 208/4885

“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.