SCHEMBL20617409

SCHEMBL20617409

CCc1nc(=O)c(O)nn1C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
GLA P06280 2/20 0.35
KMT2A Q03164 2/20 0.35
BRD9 Q9H8M2 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
BRD7 Q9NPI1 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL13884144 0.73 TSHR (0.41) TSHR
SCHEMBL6745199 0.71
SCHEMBL5275675 0.69 MAPT (0.31)
SCHEMBL9665870 0.68 MEN1 (0.33) KMT2AMEN1
SCHEMBL12344045 0.67
SCHEMBL6565787 0.67
Hydrochloric Acid SCHEMBL960244 0.64 GAA (0.32)
SCHEMBL6760731 0.63 BRD9 (0.41) GLAKMT2ABRD9BRD7MEN1
SCHEMBL21451063 0.63 TSHR (0.31) TSHR
SCHEMBL17132892 0.63 HTR2C (0.32)

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-10980765-B2 Isothiocyanatostilbenes as a novel method and product for treating cancer BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY (US) 2021-04-20 US disclosed
US-20190000791-A1 ISOTHIOCYANATOSTILBENES AS A NOVEL METHOD AND PRODUCT FOR TREATING CANCER Board of Supervisors for the University of Louisiana System 2019-01-03 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 (2 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-10980765-B2 Isothiocyanatostilbenes as a novel method and product for treating cancer SI, PCMT1, HDAC8 TSHR 1944/4885GLA 1191/4885KMT2A 2012/4885
US-20190000791-A1 ISOTHIOCYANATOSTILBENES AS A NOVEL METHOD AND PRODUCT FOR TREATING CANCER SI, PCMT1, HDAC8 TSHR 1944/4885GLA 1191/4885KMT2A 2012/4885

“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.