SCHEMBL4234747

SCHEMBL4234747

c1cc(OCCCOc2ccc(-c3nn[nH]n3)cc2)c2ccn(CCCOc3ccc(-c4nn[nH]n4)cc3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.62
PDE3A Q14432 5/20 0.60
CYP19A1 P11511 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TBXAS1 P24557 1/20 0.49

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
SCHEMBL4234774 0.85 PPARA (0.54) GRM2PDE3ACYP19A1CYP2C9CYP2C19
SCHEMBL2003075 0.78 GRM2 (0.95) GRM2
SCHEMBL1993974 0.77 GRM2 (1.00) GRM2
SCHEMBL1995741 0.77 GRM2 (1.00) GRM2
SCHEMBL2002029 0.73 GRM2 (0.85) GRM2
SCHEMBL1993640 0.71 GRM2 (1.00) GRM2
SCHEMBL4235983 0.70 PPARG (0.55)
SCHEMBL1995583 0.69 GRM2 (1.00) GRM2
SCHEMBL1999713 0.69 GRM2 (0.73) GRM2
SCHEMBL2001486 0.69 GRM2 (0.73) GRM2

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
EP-1689389-A4 INDOLE COMPOUNDS NAT HEALTH RESEARCH INSTITUTES (TW) 2009-06-17 EP disclosed
US-7449478-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-11 US disclosed
US-7449478-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-11 US disclosed
US-7449478-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-11 US disclosed
EP-1689389-A2 INDOLE COMPOUNDS National Health Research Institutes (TW) 2006-08-16 EP disclosed
WO-2005056522-A2 INDOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2005-06-23 WO disclosed
US-20050124675-A1 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2005-06-09 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-20050124675-A1 Indole compounds PPARG, PPARD, PPARA GRM2 315/4885PDE3A 1727/4885CYP19A1 61/4885

“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.