SCHEMBL14213336

SCHEMBL14213336

C/N=C/c1cc(C(C)C)on1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 13/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
TP53 P04637 1/20 0.30
NFKB1 P19838 1/20 0.30
MAPK1 P28482 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL3763783 0.75 S1PR1 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL16804009 0.75 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL14213304 0.74 MEN1 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1TSHR
SCHEMBL14213301 0.74 MEN1 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1TSHR
SCHEMBL14425145 0.67
SCHEMBL23651964 0.67 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL468941 0.64
SCHEMBL85820 0.64 GRM5 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL23189045 0.64 CYP11B1 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1MAPK1
SCHEMBL25394987 0.63 SMN1; SMN2 (0.34) SMN1; SMN2NPC1RAB9AALDH1A1S1PR1

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-20120309750-A1 5-MEMBERED HETEROCYCLE DERIVATIVES AND MANUFACTURING PROCESS THEREOF ILDONG PHARM CO., LTD. (KR) 2012-12-06 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-20120309750-A1 5-MEMBERED HETEROCYCLE DERIVATIVES AND MANUFACTURING PROCESS THEREOF CYP3A5, UGT2B7, UGT1A7 SMN1; SMN2 1687/4885NPC1 2151/4885RAB9A 740/4885

“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.