SCHEMBL10247599

SCHEMBL10247599

CCOP(=O)(Cc1nnc(-c2cccs2)o1)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 12/20 0.53
ALDH1A1 P00352 11/20 0.53
KDM4E B2RXH2 9/20 0.53
SMN1; SMN2 Q16637 8/20 0.53
RAB9A P51151 7/20 0.53
NPC1 O15118 6/20 0.53
MAPT P10636 3/20 0.53
HSD17B10 Q99714 4/20 0.50
TP53 P04637 3/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
GAA P10253 3/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL10247666 0.80 SMN1; SMN2 (0.57) HPGDALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL10250868 0.76 NPC1 (0.49) HPGDALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL10247601 0.76 HDAC1 (0.45) HPGDALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL10247665 0.76 MAPT (0.53) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL4507350 0.74 SMN1; SMN2 (0.64) HPGDALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL29915496 0.73 NOTUM (0.51) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL28574227 0.73 KDM4E (0.61) HPGDALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL12227999 0.73 DPP4 (0.57) HPGDALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL5884907 0.73 RAB9A (0.41) HPGDALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL10250866 0.72 RAB9A (0.47) HPGDALDH1A1KDM4ESMN1; SMN2RAB9A

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
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 US 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 HPGD 1718/4885ALDH1A1 2610/4885KDM4E 3490/4885

“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.