SCHEMBL6258710

SCHEMBL6258710

O=C(NCCO)c1ccc(CCCc2ccccc2CCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.60
▸ RAB9A P51151 6/20 0.60
▸ HDAC8 Q9BY41 2/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ HDAC2 Q92769 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ MLYCD O95822 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ SPHK2 Q9NRA0 1/20 0.53
▸ SPHK1 Q9NYA1 1/20 0.53
▸ TMEM97 Q5BJF2 2/20 0.52
▸ SIGMAR1 Q99720 2/20 0.52
▸ HDAC1 Q13547 2/20 0.51

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
SCHEMBL8163071 0.94 HDAC2 (0.59) NPC1RAB9AHDAC8HSP90AA1HDAC2
SCHEMBL8162229 0.88 NPC1 (0.58) NPC1RAB9AHDAC8HSP90AA1HDAC2
SCHEMBL27308168 0.81 NPC1 (0.73) NPC1RAB9AHDAC8HSP90AA1HDAC2
SCHEMBL8408143 0.81 SPHK2 (0.63) NPC1RAB9AHDAC8HDAC2HDAC6
SCHEMBL6260223 0.79 PTGER4 (0.67) HDAC8HDAC1
SCHEMBL8170471 0.78 ESRRG (0.63) NPC1RAB9AHDAC8HDAC2HDAC6
SCHEMBL8162140 0.78 TRPV1 (0.69) SMN1; SMN2
SCHEMBL8322962 0.78 SPHK2 (0.58) NPC1RAB9AHDAC8HDAC2HDAC6
SCHEMBL8321075 0.77 MTNR1B (0.60) NPC1RAB9ASMN1; SMN2SPHK2SPHK1
SCHEMBL6261633 0.76 CYP4A11 (0.60) NPC1RAB9AHDAC8HDAC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057345-A ANTAGONISTS OF THE PAIN ENHANCING EFFECTS OF E-TYPE PROSTAGLANDINS; USED IN PAIN RELIEF ZENECA LIMITED (GB) 2000-05-02 — — US claimed
EP-0752421-B1 Ortho-substituted aromatic compounds, containing three (het)aryl moieties, their preparation and their use as prostaglandin E2-(PGE2)-antagonists ASTRAZENECA AB (SE) 2005-10-12 — — EP disclosed
US-6787562-B2 ANALGESICS; OSTEOPOROSIS ZENECA LTD. (GB) 2004-09-07 — — US disclosed
US-20030139418-A1 Substituted aryl and heteroaryl compounds as E-type prostaglandin antagonists SYNGENTA LIMITED (GB) 2003-07-24 — — US disclosed
US-6057345-A ANTAGONISTS OF THE PAIN ENHANCING EFFECTS OF E-TYPE PROSTAGLANDINS; USED IN PAIN RELIEF ZENECA LIMITED (GB) 2000-05-02 — — US disclosed
US-5834468-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, ANALGESICS TREATING RHEUMATIC DISEASE, BONE DISORDER, INJURIES ZENECA LIMITED (GB) 1998-11-10 — — US disclosed
EP-0752421-A1 Ortho-substituted aromatic compounds, containing three (het)aryl moieties, their preparation and their use as prostaglandin E2-(PGE2)-antagonists ZENECA LIMITED (GB) 1997-01-08 — — 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-20030139418-A1 Substituted aryl and heteroaryl compounds as E-type prostaglandin antagonists PTGER1, PTGDR, PTGER2 NPC1 1261/4885RAB9A 2473/4885HDAC8 2549/4885

“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.

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