SCHEMBL6259183

SCHEMBL6259183

CCOC(=O)c1ccc(CNCc2cc(Br)ccc2OCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
HTT P42858 5/20 0.61
ALDH1A1 P00352 4/20 0.61
USP28 Q96RU2 1/20 0.58
USP25 Q9UHP3 1/20 0.58
LMNA P02545 4/20 0.58
CCR5 P51681 4/20 0.55
RAB9A P51151 1/20 0.53
CYP1A2 P05177 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 1/20 0.50
HTR7 P34969 1/20 0.50
HTR6 P50406 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL6261222 0.87 HTT (0.68) SMN1; SMN2HTTALDH1A1USP28USP25
SCHEMBL6259187 0.84 PPIA (0.55) SMN1; SMN2ALDH1A1USP28USP25LMNA
SCHEMBL6258926 0.83 CCR5 (0.55) SMN1; SMN2ALDH1A1USP28USP25LMNA
SCHEMBL8155926 0.82 CCR5 (0.50) SMN1; SMN2HTTALDH1A1USP28USP25
SCHEMBL8162193 0.82 CCR5 (0.50) SMN1; SMN2HTTALDH1A1USP28USP25
SCHEMBL8703991 0.82 CCR5 (0.50) SMN1; SMN2HTTALDH1A1USP28USP25
SCHEMBL6257530 0.82 PPIA (0.50) HTTALDH1A1USP28USP25LMNA
SCHEMBL8162946 0.82 CCR5 (0.49) SMN1; SMN2HTTALDH1A1USP28USP25
SCHEMBL8161862 0.82 GAA (0.49) SMN1; SMN2HTTALDH1A1USP28USP25
SCHEMBL6260658 0.79 PTGER1 (0.46) ALDH1A1USP28USP25LMNACCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SMN1; SMN2 2519/4885HTT 4559/4885ALDH1A1 590/4885

“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.