SCHEMBL513204

SCHEMBL513204

CCC(CC)(c1noc(-c2ccccc2)n1)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
NOTUM Q6P988 1/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
NR1H4 Q96RI1 4/20 0.42
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
S1PR1 P21453 1/20 0.38
TP53 P04637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL513425 0.88 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL513092 0.86 NPC1 (0.46) HDAC6HDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL513221 0.86 CHRNB2 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL513254 0.85 TP53 (0.45) HDAC1NOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL513589 0.85 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL513366 0.83 RAB9A (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL512771 0.83 RAB9A (0.49) HDAC6HDAC1NOTUMNPC1RAB9A
SCHEMBL513467 0.82 HSD17B10 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL512821 0.82 CA2 (0.41) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL512093 0.80 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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 4 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
EP-0123378-B1 1-NORMONYL DERIVATIVES, PROCESSES AND USE BEECHAM GROUP PLC (GB) 1989-09-06 EP disclosed
US-4861788-A FUNGICIDE, BACTERICIDE BEECHAM GROUP PLC (GB) 1989-08-29 US disclosed
EP-0123378-A2 1-Normonyl derivatives, processes and use BEECHAM GROUP PLC (GB) 1984-10-31 EP 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 HDAC6 1642/4885HDAC1 1703/4885HDAC8 2410/4885

“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.