SCHEMBL3500786

SCHEMBL3500786

O=C(O)Cc1ccc(Oc2nc3ccccc3s2)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C19 P33261 1/20 0.69
LTA4H P09960 14/20 0.62
EPHX2 P34913 2/20 0.62
KCNH2 Q12809 6/20 0.56
GLO1 Q04760 1/20 0.55
PPARG P37231 3/20 0.53
PPARA Q07869 3/20 0.53
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 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
SCHEMBL4688863 0.86 LTA4H (0.62) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4688901 0.83 CYP1A2 (0.63) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11471037 0.82 CYP1A2 (0.73) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17057706 0.82 CSNK1D (0.48) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL18580730 0.82 EPHX2 (0.58) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4692258 0.82 CYP1A2 (0.59) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3491330 0.82 CYP1A2 (1.00) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL357361 0.81 SMN1; SMN2 (0.71) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4689887 0.81 CYP1A2 (0.60) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4688967 0.81 LTA4H (0.64) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 SMN1; SMN2 4779/4885CYP1A2 3046/4885CYP3A4 1129/4885

“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.