SCHEMBL2544743

SCHEMBL2544743

COc1cc(C=O)c(-c2csc(-c3ccc(N(C)C)cc3)n2)c(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP19A1 P11511 1/20 0.39
APP P05067 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38

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
SCHEMBL1683842 0.88 CYP19A1 (0.48) MAPTMEN1KMT2ACYP19A1NPC1
SCHEMBL1683981 0.87 MAPT (0.41) MAPTMEN1KMT2ACYP19A1GAA
Hydrochloric Acid SCHEMBL2547764 0.84 MAPT (0.39) MAPTMEN1KMT2ACYP19A1NPC1
Hydrochloric Acid SCHEMBL2539879 0.82 HDAC3 (0.39) MAPTMEN1KMT2ACYP19A1GAA
SCHEMBL1683803 0.78 CYP19A1 (0.51) CYP19A1
SCHEMBL15225838 0.74 ALDH1A1 (0.50) MAPTMEN1KMT2ATUBB4ATUBB
SCHEMBL2543254 0.74 TUBB4A (0.42) MAPTMEN1KMT2ATUBB4ATUBB
SCHEMBL4037099 0.71 MAPT (0.52) MAPTMEN1KMT2AGAANPC1
SCHEMBL723227 0.70 HDAC3 (0.65) HDAC3HDAC1HDAC7HDAC8HDAC6
SCHEMBL4038676 0.70 ALDH1A1 (0.48) MAPTMEN1KMT2AGAATUBB4A

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-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2011-10-20 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-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 MAPT 2614/4885MEN1 165/4885KMT2A 2242/4885

“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.