SCHEMBL10035343

SCHEMBL10035343

CC(C)Oc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-c3cccnc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.51
GLA P06280 1/20 0.50
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AVPR1A P37288 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
G6PD P11413 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP19A1 P11511 2/20 0.44
CYP17A1 P05093 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HRH1 P35367 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL10035352 1.00 OXTR (0.51) OXTRGLAHPGDSMN1; SMN2AVPR1A
SCHEMBL10035339 0.97 OXTR (0.47) OXTRGLAHPGDSMN1; SMN2AVPR1A
SCHEMBL10035329 0.89 HPGD (0.51) OXTRGLAHPGDSMN1; SMN2AVPR1A
SCHEMBL10035350 0.86 OXTR (0.69) OXTRGLAHPGDSMN1; SMN2AVPR1A
SCHEMBL10035326 0.86 OXTR (0.69) OXTRGLAHPGDSMN1; SMN2AVPR1A
SCHEMBL10035319 0.85 AVPR1A (0.56) OXTRGLAHPGDSMN1; SMN2AVPR1A
SCHEMBL10035330 0.85 AVPR1A (0.56) OXTRGLAHPGDSMN1; SMN2AVPR1A
SCHEMBL398821 0.85 AVPR1A (0.56) OXTRGLAHPGDSMN1; SMN2AVPR1A
SCHEMBL10035355 0.85 SMN1; SMN2 (0.55) OXTRGLAHPGDSMN1; SMN2AVPR1A
SCHEMBL10035335 0.84 AVPR1A (0.49) OXTRGLAHPGDSMN1; SMN2AVPR1A

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 OXTR 3599/4885GLA 2899/4885HPGD 601/4885

“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.