SCHEMBL13819980

SCHEMBL13819980

COc1cccc(Cn2cc(C)nn2)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD74 P04233 1/20 0.64
MIF P14174 1/20 0.64
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GPR55 Q9Y2T6 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
CMA1 P23946 1/20 0.53
LPO P22079 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP19A1 P11511 1/20 0.47

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
SCHEMBL13819982 0.87 TUBB4A (0.57) CD74MIFMEN1KMT2AGPR55
SCHEMBL19813139 0.84 CD74 (0.62) CD74MIFMEN1KMT2AGPR55
SCHEMBL16401284 0.81 CD74 (0.60) CD74MIFMEN1KMT2AGPR55
SCHEMBL12219083 0.81 MEN1 (0.64) MEN1KMT2ACMA1KDM4EALDH1A1
SCHEMBL29275461 0.80 CD74 (0.81) CD74MIFMEN1KMT2AGPR55
SCHEMBL30991876 0.80 CD74 (0.81) CD74MIFMEN1KMT2AGPR55
SCHEMBL16097875 0.80 HDAC1 (0.51) CD74MIFMEN1KMT2ACYP19A1
SCHEMBL17336967 0.79 CD74 (0.64) CD74MIFMEN1KMT2AGPR55
SCHEMBL9290483 0.79 CYP19A1 (0.61) SIGMAR1ALDH1A1CYP19A1
SCHEMBL25055361 0.78 CD74 (1.00) CD74MIFMEN1KMT2AGPR55

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-8729270-B2 Anti-cancer compounds, synthesis thereof, and methods of using same UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-05-20 US disclosed
US-8729270-B2 Anti-cancer compounds, synthesis thereof, and methods of using same UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-05-20 US disclosed
US-20120289704-A1 ANTI-CANCER COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-11-15 US disclosed
US-20120289704-A1 ANTI-CANCER COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-11-15 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-20120289704-A1 ANTI-CANCER COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME MCL1, BRDT, GLS CD74 4594/4885MIF 2789/4885MEN1 810/4885

“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.