SCHEMBL17322928

SCHEMBL17322928

CC(C)c1c(I)nnn1C(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TOP2A P11388 1/20 0.30

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
SCHEMBL5281328 0.70 TOP2A (0.32) ALDH1A1CYP1A2CYP2C19SMN1; SMN2TOP2A
SCHEMBL5278417 0.68
SCHEMBL5275668 0.68 TOP2A (0.31) TOP2A
SCHEMBL5276896 0.68 MAPT (0.30)
SCHEMBL5280637 0.67 TOP2A (0.30) TOP2A
SCHEMBL5281492 0.66
SCHEMBL5277714 0.66
SCHEMBL5275854 0.66 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL24190735 0.65 CYP1A2 (0.32) ALDH1A1CYP1A2CYP2C19SMN1; SMN2TOP2A
SCHEMBL5273804 0.65 MAOB (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353509-A1 A Compound 1,4,5-Trisubstituted1,2,3-Triazole, Process To Obtain And Uses Thereof CENTRO DE INVESTIGACIÓN BIOMEDICA EN RED (ES) 2015-12-10 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-20150353509-A1 A Compound 1,4,5-Trisubstituted1,2,3-Triazole, Process To Obtain And Uses Thereof PTMS, BMP1, OCIAD1 ALDH1A1 804/4885CYP1A2 2595/4885CYP2C19 1404/4885

“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.