SCHEMBL512927

SCHEMBL512927

CCC(CC)(c1cc(-c2ccccc2)no1)P(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
NOTUM Q6P988 2/20 0.44
RAB9A P51151 7/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 6/20 0.41
MAPT P10636 2/20 0.41
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
RORC P51449 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL9864532 0.82 MEN1 (0.36) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL6820625 0.76 POLB (0.41) KMT2ARAB9ASMN1; SMN2NPC1RORC
SCHEMBL515676 0.75 ALDH1A1 (0.45) MEN1KMT2ANOTUMRAB9ASMN1; SMN2
SCHEMBL513204 0.75 HDAC6 (0.44) NOTUMRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL8864055 0.72 CHRNA4 (0.32)
SCHEMBL28660135 0.72 MEN1 (0.74) MEN1KMT2ANOTUMRAB9ASMN1; SMN2
SCHEMBL799923 0.72 MEN1 (1.00) MEN1KMT2ANOTUMRAB9ASMN1; SMN2
SCHEMBL9658558 0.70 NOTUM (0.56) MEN1KMT2ANOTUMRAB9ASMN1; SMN2
SCHEMBL9327472 0.70 RAB9A (0.49) MEN1KMT2ANOTUMRAB9ASMN1; SMN2
SCHEMBL513327 0.70 NPC1 (0.47) NOTUMRAB9ASMN1; SMN2NPC1MAPT

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 5 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-5041567-A Human and veterianary medicine; veneral diseases respiratory diseases, bovine mastitis BEECHAM GROUP PLC (GB) 1991-08-20 US disclosed
US-4812470-A Antibacterial monic acid derivatives BEECHAM GROUP P.L.C. (GB) 1989-03-14 US disclosed
EP-0087953-B1 ANTIBACTERIAL 1-NORMON-2-YL-HETEROCYCLIC COMPOUNDS BEECHAM GROUP PLC (GB) 1988-04-27 EP disclosed
EP-0087953-A2 Antibacterial 1-normon-2-yl-heterocyclic compounds BEECHAM GROUP PLC (GB) 1983-09-07 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 MEN1 483/4885KMT2A 3004/4885NOTUM 3155/4885

“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.