SCHEMBL512888

SCHEMBL512888

C(=C1CCNCC1)c1coc(-c2cccs2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMN1; SMN2 Q16637 8/20 0.36
ALDH1A1 P00352 8/20 0.36
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
HPGD P15428 6/20 0.36
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
F2 P00734 1/20 0.35
NPSR1 Q6W5P4 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
ADRB1 P08588 1/20 0.33
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL513857 0.76 KDM4E (0.51) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL513704 0.75 RAB9A (0.40) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL512506 0.73 GBA1 (0.46) HDAC1HDAC8HDAC6ALDH1A1KDM4E
SCHEMBL512779 0.71 MAOA (0.44) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL513213 0.69 GRM5 (0.42) HDAC1HDAC8HDAC6ALDH1A1NPC1
SCHEMBL201885 0.62 HDAC1 (0.49) HDAC1HDAC8HDAC6SMN1; SMN2ALDH1A1
SCHEMBL1696000 0.62 HDAC1 (0.49) HDAC1HDAC8HDAC6SMN1; SMN2ALDH1A1
SCHEMBL5758856 0.62 HDAC1 (0.52) HDAC1HDAC8HDAC6SMN1; SMN2ALDH1A1
SCHEMBL20668659 0.62 HDAC1 (0.49) HDAC1HDAC8HDAC6SMN1; SMN2ALDH1A1
SCHEMBL27469125 0.62 HDAC1 (0.49) HDAC1HDAC8HDAC6SMN1; SMN2ALDH1A1

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 HDAC1 1703/4885HDAC8 2410/4885HDAC6 1642/4885

“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.