SCHEMBL513704

SCHEMBL513704

C(=C1CCNCC1)c1cc(-c2cccs2)on1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.40
NPC1 O15118 7/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
HPGD P15428 5/20 0.40
ALDH1A1 P00352 5/20 0.40
TP53 P04637 2/20 0.40
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
LMNA P02545 5/20 0.38
TSHR P16473 3/20 0.38
HTT P42858 2/20 0.37
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL512888 0.75 HDAC1 (0.41) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL512779 0.75 MAOA (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL620758 0.73 RAB9A (0.48) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL513857 0.71 KDM4E (0.51) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL9911613 0.66 RAB9A (0.77) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL4140152 0.65 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL8377420 0.65 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL4140149 0.65 RAB9A (0.48) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL19668537 0.64 NOTUM (0.57) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL12689025 0.64 KDM4E (0.48) RAB9ANPC1SMN1; SMN2HPGDALDH1A1

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-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP disclosed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 RAB9A 2058/4885NPC1 4017/4885SMN1; SMN2 411/4885

“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.