SCHEMBL15466871

SCHEMBL15466871

Cc1nn2c(O)c(-c3ccccc3)c(O)nc2c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 0.55
TP53 P04637 1/20 0.48
HSD11B1 P28845 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL10275883 0.73 CRHR1 (0.43) CRHR1TP53HSD11B1KDM4E
SCHEMBL28929204 0.72 CYP1A2 (0.45) TP53KDM4E
SCHEMBL15466628 0.70 CRHR1 (0.46) CRHR1TP53
SCHEMBL10313479 0.69 CRHR1 (0.52) CRHR1
SCHEMBL13517062 0.68 MAPT (0.65) CRHR1TP53KDM4E
SCHEMBL25117979 0.67 MAPT (0.57) TP53KDM4E
SCHEMBL15466340 0.67 KDM4E (0.50) CRHR1TP53KDM4E
SCHEMBL19668801 0.66 MAPT (0.53) TP53KDM4E
SCHEMBL15020632 0.66 TP53 (0.79) CRHR1TP53KDM4E
SCHEMBL2964886 0.66 NPC1 (0.47) KDM4E

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-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION XU LIFENG (US) 2014-02-13 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-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION ALPI, SI, SLC5A11 CRHR1 4305/4885TP53 11/4885HSD11B1 336/4885

“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.