SCHEMBL512779

SCHEMBL512779

C(=C1CCNCC1)c1nc(-c2cccs2)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NPC1 O15118 9/20 0.43
RAB9A P51151 9/20 0.43
ATM Q13315 2/20 0.43
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MCL1 Q07820 1/20 0.40
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GRM5 P41594 3/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL512905 0.78 RAB9A (0.51) MAOBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL513857 0.76 KDM4E (0.51) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL513704 0.75 RAB9A (0.40) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL2108933 0.74 NPC1 (0.51) NPC1RAB9AATMMAPTKDM4E
SCHEMBL1073502 0.73 TSHR (0.56) RAB9AATMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL513744 0.73 GBA1 (0.51) NPC1RAB9AATMMAPTPKM
Hydrochloric Acid SCHEMBL2026519 0.72 TSHR (0.55) RAB9AATMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL513294 0.72 HTR7 (0.51) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL512888 0.71 HDAC1 (0.41) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL30771803 0.70 TSHR (0.52) RAB9AATMSMN1; SMN2ALDH1A1L3MBTL1

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-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 MAOA 412/4885MAOB 309/4885NPC1 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.