SCHEMBL13819982

SCHEMBL13819982

Cc1cn(Cc2cccc(Oc3ccccc3)c2)nn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.57
TUBB P07437 4/20 0.57
TUBA3C P0DPH7 4/20 0.57
TUBA1B P68363 4/20 0.57
TUBA4A P68366 4/20 0.57
TUBB4B P68371 4/20 0.57
TUBB3 Q13509 4/20 0.57
TUBB2A Q13885 4/20 0.57
TUBB8 Q3ZCM7 4/20 0.57
TUBA3E Q6PEY2 4/20 0.57
TUBA1A Q71U36 4/20 0.57
TUBA1C Q9BQE3 4/20 0.57
TUBB6 Q9BUF5 4/20 0.57
TUBB2B Q9BVA1 4/20 0.57
TUBB1 Q9H4B7 4/20 0.57
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CD74 P04233 1/20 0.50
MIF P14174 1/20 0.50

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
SCHEMBL13819988 0.87 CYP19A1 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13819980 0.87 CD74 (0.64) ALDH1A1KDM4ECD74MIFCYP19A1
SCHEMBL9290483 0.82 CYP19A1 (0.61) ALDH1A1CYP19A1
SCHEMBL12339966 0.81 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13702605 0.81 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16097875 0.77 HDAC1 (0.51) TDP1CD74MIFCYP19A1HPGD
SCHEMBL12339942 0.76 TUBB4A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19699896 0.75 CYP19A1 (0.70) CD74MIFCYP19A1GPR55MEN1
SCHEMBL30991876 0.74 CD74 (0.81) CD74MIFCYP19A1GPR55MEN1
SCHEMBL28628748 0.74 ALDH1A1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 TUBB4A 1896/4885TUBB 2384/4885TUBA3C 2253/4885

“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.