SCHEMBL4241828

SCHEMBL4241828

CC(C)(C)[Si](C)(C)OCCc1nc2cc(C=O)ccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
DUT P33316 2/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
BRD4 O60885 1/20 0.32
CYP2A6 P11509 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 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
SCHEMBL4245924 0.88 SMN1; SMN2 (0.33) MAPTKMT2AMEN1BRD4CYP2A6
SCHEMBL7655788 0.82 CACNA1H (0.40) CYP2C9MAPTPOLBKMT2AMEN1
SCHEMBL4241835 0.80 RHEB (0.38) CYP2C9CYP1A2DUTMAPTPOLB
SCHEMBL9675388 0.78 POLB (0.55) CYP2C9CYP1A2MAPTPOLBALDH1A1
SCHEMBL4243154 0.78 MAPT (0.47) CYP2C9CYP1A2MAPTKMT2AMEN1
SCHEMBL5029730 0.72 RAD52 (0.45) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL4241831 0.72 BRD4 (0.35) BRD4CYP2A6HDAC1HDAC8HDAC6
SCHEMBL7649873 0.72 TDP1 (0.47) POLBCYP2A6HDAC3HDAC4HDAC1
SCHEMBL2356225 0.72 ALDH1A1 (0.41) DUTMAPTCYP2A6ALDH1A1
SCHEMBL7656691 0.72 KMT2A (0.47) MAPTPOLBKMT2AMEN1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 CYP2C9 4880/4885CYP1A2 4603/4885DUT 3815/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA CYP2C9 1814/4885CYP1A2 2530/4885DUT 2288/4885

“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.