SCHEMBL18837522

SCHEMBL18837522

CCn1c(=O)n(CCc2ccccc2OC)c(=O)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.65
▸ HDAC1 Q13547 1/20 0.62
▸ HDAC11 Q96DB2 1/20 0.62
▸ HDAC8 Q9BY41 1/20 0.62
▸ HDAC6 Q9UBN7 1/20 0.62
▸ MDM2 Q00987 1/20 0.54
▸ THRB P10828 4/20 0.52
▸ TP53 P04637 3/20 0.52
▸ ADORA3 P0DMS8 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ MAPT P10636 2/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.50
▸ PGR P06401 1/20 0.49

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
SCHEMBL17241940 0.87 HDAC1 (0.59) MAPK1HDAC1HDAC11HDAC8HDAC6
SCHEMBL17242660 0.80 MAPT (0.66) MAPK1HDAC1HDAC11HDAC8HDAC6
SCHEMBL12963428 0.79 PGR (0.61) THRBTP53PGR
SCHEMBL30485670 0.79 PGR (0.68) MAPK1HDAC1MDM2TP53PGR
SCHEMBL6362477 0.79 PGR (0.68) MAPK1HDAC1MDM2TP53PGR
SCHEMBL24031061 0.78 HDAC1 (1.00) HDAC1HDAC11HDAC8HDAC6RXFP1
SCHEMBL16092736 0.77 MEN1 (0.65) THRBTP53PGR
SCHEMBL17242731 0.77 MAPT (0.63) HDAC1HDAC11HDAC8HDAC6TP53
SCHEMBL6366020 0.73 PGR (0.64) MAPK1PGR
SCHEMBL8347752 0.71 MAPK8 (0.55) HDAC1PGR

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-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2017-05-18 — — 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-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES GABRB1, GABRB3, GABRB2 MAPK1 3124/4885HDAC1 1565/4885HDAC11 1793/4885

“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.

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