SCHEMBL15909609

SCHEMBL15909609

COc1cc(C(=O)c2c[nH]c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)cc(OC)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.46
HTR2A P28223 3/20 0.45
HTR7 P34969 3/20 0.45
DRD2 P14416 3/20 0.45
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42

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
SCHEMBL15135563 0.93 TUBB4A (0.49) HTR6HTR2AHTR7DRD2CA12
SCHEMBL19221083 0.88 HDAC1 (0.45) HTR6HTR2AHTR7DRD2CA12
SCHEMBL726776 0.80 TUBB4A (0.52) HTR6HTR2AHTR7DRD2CA12
SCHEMBL29728502 0.80 TUBB4A (0.52) HTR6HTR2AHTR7DRD2CA12
SCHEMBL24222462 0.77 PDGFRB (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL786888 0.77 ALDH1A1 (0.40) CA12CA9TUBB4ATUBBTUBA3C
SCHEMBL786594 0.76 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2465985 0.75 TUBB4A (0.47) HTR6HTR2AHTR7DRD2CA12
SCHEMBL30667435 0.74 HTR6 (0.46) HTR6HTR2AHTR7DRD2CA12
SCHEMBL15151712 0.73 HDAC1 (0.45) HTR6HTR2AHTR7DRD2CA12

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-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 US disclosed
US-9029408-B2 Compounds for treatment of cancer GTX, INC. (US) 2015-05-12 US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 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 (2 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-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 HTR6 4182/4885HTR2A 3101/4885HTR7 2888/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 HTR6 4182/4885HTR2A 3101/4885HTR7 2888/4885

“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.