SCHEMBL5548111

SCHEMBL5548111

COc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.66
TSHR P16473 2/20 0.66
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
GRIA3 P42263 1/20 0.65
GRIA4 P48058 1/20 0.65
MAPT P10636 4/20 0.62
KDM4E B2RXH2 3/20 0.62
CYP3A4 P08684 3/20 0.62
CYP2C9 P11712 3/20 0.62
CYP2C19 P33261 3/20 0.62
POLB P06746 2/20 0.62
HTT P42858 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
USP2 O75604 3/20 0.62
TP53 P04637 2/20 0.62
KMT2A Q03164 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MEN1 O00255 3/20 0.61
GLA P06280 1/20 0.56

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
SCHEMBL6705746 0.80 ALDH1A1 (1.00) ALDH1A1TSHRGRIA3GRIA4MAPT
SCHEMBL6705768 0.79 ALDH1A1 (0.78) ALDH1A1TSHRNPC1RAB9AGRIA3
SCHEMBL28669990 0.79 ALDH1A1 (0.76) ALDH1A1TSHRGRIA3GRIA4MAPT
SCHEMBL6705709 0.79 GRIA3 (1.00) ALDH1A1TSHRGRIA3GRIA4MAPT
SCHEMBL6705972 0.79 ALDH1A1 (1.00) ALDH1A1TSHRGRIA3GRIA4MAPT
SCHEMBL6705731 0.77 ALDH1A1 (0.77) ALDH1A1TSHRGRIA3GRIA4MAPT
SCHEMBL28664531 0.77 ALDH1A1 (0.78) ALDH1A1TSHRNPC1RAB9AGRIA3
SCHEMBL6706698 0.77 ALDH1A1 (0.79) ALDH1A1TSHRGRIA3GRIA4MAPT
SCHEMBL31072433 0.76 ALDH1A1 (0.82) ALDH1A1TSHRGRIA3GRIA4MAPT
SCHEMBL31072432 0.76 ALDH1A1 (0.82) ALDH1A1TSHRGRIA3GRIA4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122910-A1 METHOD OF TREATING CANCER USING A SURVIVIN INHIBITOR THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-05-17 US disclosed
US-20120122910-A1 METHOD OF TREATING CANCER USING A SURVIVIN INHIBITOR THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-05-17 US disclosed
WO-2010083505-A1 METHOD OF TREATING CANCER USING A SURVIVIN INHIBITOR THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-07-22 WO 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-20120122910-A1 METHOD OF TREATING CANCER USING A SURVIVIN INHIBITOR BIRC5, CDC20, CCNB1 ALDH1A1 1765/4885TSHR 4503/4885NPC1 2998/4885

“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.