SCHEMBL3764993

SCHEMBL3764993

O=C(O)c1cccc(CNC(=O)c2cc(OCc3cccc(Cl)c3)ccc2Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
NR4A2 P43354 1/20 0.64
MRGPRX4 Q96LA9 10/20 0.63
SMN1; SMN2 Q16637 4/20 0.60
ALDH1A1 P00352 2/20 0.60
HTT P42858 2/20 0.60
POLB P06746 1/20 0.60
ALOX12 P18054 1/20 0.60
RXRA P19793 1/20 0.59
RXRB P28702 1/20 0.59
RXRG P48443 1/20 0.59
TP53 P04637 2/20 0.57
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.52

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
SCHEMBL3766516 0.92 RXRA (0.65) NPC1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL2905163 0.90 RAB9A (0.62) NPC1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL2901871 0.88 NPC1 (0.56) NPC1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL2908969 0.87 NPC1 (0.53) NPC1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL2910109 0.87 NPC1 (0.63) NPC1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL12998993 0.86 NPC1 (0.56) NPC1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL2904886 0.85 RXRA (0.56) NPC1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL2901874 0.84 NPC1 (0.54) NPC1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL2908929 0.84 NPC1 (0.57) NPC1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL12998999 0.84 NPC1 (0.52) NPC1RAB9ACYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220029-B1 Benzamide compounds and their use as prostaglandin E4 receptor agonists GLAXO GROUP LTD (GB) 2013-11-20 EP claimed
US-8293798-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-10-23 US claimed
US-20100305166-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2010-12-02 US claimed
EP-2220029-B1 Benzamide compounds and their use as prostaglandin E4 receptor agonists GLAXO GROUP LTD (GB) 2013-11-20 EP disclosed
US-8293798-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-10-23 US disclosed
US-8293798-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-10-23 US disclosed
US-8293798-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-10-23 US disclosed
US-20100305166-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2010-12-02 US disclosed
US-20100305166-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2010-12-02 US disclosed
US-20100305166-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2010-12-02 US disclosed
WO-2009056582-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-05-07 WO 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-20100305166-A1 NOVEL COMPOUNDS F12, C1R, RPS4X NPC1 51/4885RAB9A 733/4885CYP1A2 270/4885

“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.