SCHEMBL21032097

SCHEMBL21032097

CC(C)c1ccc(N(c2cc3c(C(C)C)cc(N(c4ccc(C(C)C)cc4)c4cccc5c4oc4ccccc45)c4ccc5c(C(C)C)ccc2c5c34)c2cccc3c2oc2ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
CYP2C9 P11712 1/20 0.31
NQO1 P15559 1/20 0.31
CRHBP P24387 1/20 0.31
CASP7 P55210 1/20 0.31
CASP6 P55212 1/20 0.31
CRHR2 Q13324 1/20 0.31
HIF1A Q16665 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
SCHEMBL879273 0.96 TNKS (0.39) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL18101684 0.94 TNKS (0.39) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL19051123 0.93 ALOX5 (0.30)
SCHEMBL9976985 0.92 TNKS (0.36) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL13171185 0.90 TNKS (0.35) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL17572976 0.89 TNKS (0.38) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL24195864 0.89 TNKS (0.34) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL4084424 0.88 ALOX5 (0.32) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL17573100 0.88 MAOB (0.36) TNKSPARP1TNKS2PARP2
SCHEMBL21940440 0.87 TNKS (0.33) TNKSPARP1TNKS2HDAC6PARP2

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-20190161497-A1 SPECIFICALLY SUBSTITUTED BENZOFURO- AND BENZOTHIENOQUINOLINES FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO., LTD. (JP) 2019-05-30 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-20190161497-A1 SPECIFICALLY SUBSTITUTED BENZOFURO- AND BENZOTHIENOQUINOLINES FOR ORGANIC LIGHT EMITTING DIODES KCNQ2, KCNQ1, KCNQ4 TNKS 3585/4885PARP1 1863/4885TNKS2 3491/4885

“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.