SCHEMBL692352

SCHEMBL692352

CCCC[Sn](CCCC)(CCCC)c1ccc2ccncc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.38
MELK Q14680 3/20 0.38
CYP19A1 P11511 1/20 0.36
TBXAS1 P24557 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
BRAF P15056 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HASPIN Q8TF76 2/20 0.32
IKBKB O14920 1/20 0.32
CYP2A6 P11509 1/20 0.32
NOTUM Q6P988 1/20 0.32
PRKCI P41743 1/20 0.31
GSK3B P49841 1/20 0.31
TDO2 P48775 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL9901980 0.81 BDKRB2 (0.35) CYP2A6LMNA
SCHEMBL1452051 0.78 CYP2A6 (0.42) HDAC3HDAC1HDAC2TDP1CYP2A6
SCHEMBL1127906 0.74 PRKCZ (0.46) PRKCZMELKCYP19A1TBXAS1HASPIN
SCHEMBL658276 0.74 CYP2D6 (0.41) HDAC3HDAC1HDAC2TDP1L3MBTL1
SCHEMBL6114785 0.72 CYP19A1 (0.49) PRKCZMELKCYP19A1TBXAS1HDAC3
SCHEMBL691201 0.72 ALDH1A1 (0.49) ALDH1A1HTT
SCHEMBL29851135 0.71 L3MBTL1 (0.49) CYP19A1HDAC3HDAC1HDAC2TDP1
SCHEMBL154603 0.71 L3MBTL1 (0.49) CYP19A1HDAC3HDAC1HDAC2TDP1
SCHEMBL6114827 0.71 TDP1 (0.53) CYP19A1TBXAS1TDP1L3MBTL1
SCHEMBL1983658 0.71 TSHR (0.32) LMNA

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-20120190659-A1 ANGIOGENESIS INHIBITORS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2012-07-26 US disclosed
EP-2421882-A2 ANGIOGENESIS INHIBITORS President and Fellows of Harvard College (US) 2012-02-29 EP disclosed
WO-2010123545-A2 ANGIOGENESIS INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-10-28 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-20120190659-A1 ANGIOGENESIS INHIBITORS VEGFA, KDR, FLT1 PRKCZ 3649/4885MELK 1033/4885CYP19A1 455/4885

“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.