SCHEMBL3592525

SCHEMBL3592525

O=C(c1coc(-c2cn(C3CCCC3)c3ccc(Cl)cc23)n1)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
HPGD P15428 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.39
KCNH2 Q12809 1/20 0.39
HTR2C P28335 3/20 0.38
GAA P10253 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MOK Q9UQ07 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL3587029 0.87 CNR1 (0.40) SMN1; SMN2ALDH1A1MAPK1KCNH2
SCHEMBL3590472 0.86 KDM4E (0.40) KDM4EKCNH2GAAHSD17B10
SCHEMBL3602199 0.80 PTGDR2 (0.41) HPGDKDM4EALDH1A1GAACASP1
SCHEMBL3587027 0.76 KCNH2 (0.38) KCNH2
SCHEMBL3591950 0.70 CNR1 (0.45) SMN1; SMN2
SCHEMBL4357106 0.69 CNR1 (0.47)
SCHEMBL3591440 0.67 CNR1 (0.46)
SCHEMBL3593293 0.67 CNR2 (0.48) DPP4DPP8DPP9
SCHEMBL4357149 0.66 CNR1 (0.47) HPGDKDM4EALDH1A1LMNACASP1
SCHEMBL4362553 0.64 PTGDR2 (0.39) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
WO-2008006795-A2 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 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-20100004240-A1 Indole Compounds IDO1, TPH1, IDO2 SMN1; SMN2 3448/4885HPGD 1412/4885NPC1 1134/4885

“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.