SCHEMBL512905

SCHEMBL512905

C(=C1CCNCC1)c1nc(-c2ccccc2)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CASP3 P42574 5/20 0.46
SENP8 Q96LD8 5/20 0.46
SENP7 Q9BQF6 5/20 0.46
SENP6 Q9GZR1 4/20 0.46
NR1H4 Q96RI1 3/20 0.45
HTR7 P34969 1/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
NOTUM Q6P988 2/20 0.42
CHUK O15111 1/20 0.41
TXNRD1 Q16881 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL513294 0.84 HTR7 (0.51) RAB9ASMN1; SMN2NPC1L3MBTL1HTR7
SCHEMBL512779 0.78 MAOA (0.44) RAB9ASMN1; SMN2NPC1TDP1L3MBTL1
SCHEMBL513422 0.73 NR1H4 (0.45) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL14931923 0.73 RAB9A (0.46) RAB9ASMN1; SMN2NPC1TDP1L3MBTL1
SCHEMBL10475798 0.72 RAB9A (0.47) RAB9ASMN1; SMN2NPC1L3MBTL1HTR7
SCHEMBL4226837 0.72 RAB9A (0.40) RAB9ASMN1; SMN2NPC1TDP1L3MBTL1
SCHEMBL7958860 0.71 SMN1; SMN2 (0.65) RAB9ASMN1; SMN2NPC1TDP1L3MBTL1
SCHEMBL514095 0.71 HRH3 (0.35) HTR7HTR2CPLAT
SCHEMBL3109486 0.71 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2NPC1TDP1L3MBTL1
SCHEMBL513177 0.70 HDAC4 (0.53) SMN1; SMN2KMT2AMAPT

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 2058/4885SMN1; SMN2 411/4885NPC1 4017/4885

“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.