SCHEMBL10035358

SCHEMBL10035358

CCOc1ccc(-c2nnc(-c3ccc(OCC)cc3)n2-c2ccc(-c3cccnc3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.69
HPGD P15428 1/20 0.69
HIF1A Q16665 1/20 0.58
CYP19A1 P11511 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
CACNA2D1 P54289 6/20 0.54
MAPT P10636 1/20 0.53
HRH1 P35367 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 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
SCHEMBL10035342 0.97 SMN1; SMN2 (0.74) SMN1; SMN2HPGDHIF1ACYP19A1CYP3A4
SCHEMBL10035351 0.97 SMN1; SMN2 (0.74) SMN1; SMN2HPGDHIF1ACYP19A1CYP3A4
SCHEMBL13401011 0.94 SMN1; SMN2 (0.62) SMN1; SMN2HPGDHIF1ACYP19A1CYP3A4
SCHEMBL5161072 0.93 SMN1; SMN2 (0.66) SMN1; SMN2HPGDHIF1ACYP19A1CYP11B1
SCHEMBL10035359 0.90 CYP19A1 (0.65) SMN1; SMN2HPGDHIF1ACYP19A1CYP3A4
SCHEMBL10035353 0.88 CYP3A4 (0.62) SMN1; SMN2HPGDHIF1ACYP19A1CYP3A4
SCHEMBL10035354 0.88 CYP2D6 (0.70) SMN1; SMN2HPGDHIF1ACYP19A1CYP3A4
SCHEMBL10035327 0.88 CYP3A4 (0.62) SMN1; SMN2HPGDHIF1ACYP19A1CYP3A4
SCHEMBL10035357 0.85 OXTR (0.64) SMN1; SMN2HPGDCYP19A1CYP3A4CYP2C19
SCHEMBL17223083 0.85 CYP2A6 (0.54) SMN1; SMN2HPGDCYP19A1CYP3A4CYP11B1

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-8101771-B2 Triazole derivative, and light-emitting element, light-emitting device, and electronic device using triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-01-24 US disclosed
US-8101771-B2 Triazole derivative, and light-emitting element, light-emitting device, and electronic device using triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-01-24 US disclosed
US-20100079066-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-04-01 US disclosed
US-20100079066-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-04-01 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-20100079066-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Triazole Derivative TTI1, TTI2, NLRP3 SMN1; SMN2 4615/4885HPGD 601/4885HIF1A 2956/4885

“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.