SCHEMBL17515280

SCHEMBL17515280

COc1ccc(Cn2sc3ncccc3c2=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 11/20 0.76
EP300 Q09472 3/20 0.72
CREBBP Q92793 3/20 0.72
KAT2A Q92830 3/20 0.72
CASP3 P42574 1/20 0.64
HDAC3 O15379 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
NCOR2 Q9Y618 1/20 0.62
MMP10 P09238 2/20 0.54
MAPT P10636 2/20 0.50
LIPG Q9Y5X9 2/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL17515276 0.85 KAT2B (1.00) KAT2BEP300CREBBPKAT2ACASP3
SCHEMBL18872059 0.84 KAT2B (1.00) KAT2BEP300CREBBPKAT2ACASP3
SCHEMBL17502095 0.84 KAT2B (1.00) KAT2BEP300CREBBPKAT2ACASP3
SCHEMBL18503655 0.80 HDAC3 (0.76) KAT2BEP300CREBBPKAT2ACASP3
SCHEMBL29711779 0.80 KAT2B (1.00) KAT2BEP300CREBBPKAT2ACASP3
SCHEMBL20771543 0.80 KAT2B (1.00) KAT2BEP300CREBBPKAT2ACASP3
SCHEMBL17515279 0.79 CASP3 (1.00) CASP3HDAC3HDAC1HDAC8HDAC6
SCHEMBL29798990 0.79 KAT2B (1.00) KAT2BEP300CREBBPKAT2AMMP10
SCHEMBL26964488 0.79 KAT2B (1.00) KAT2BEP300CREBBPKAT2AMMP10
SCHEMBL18492996 0.77 HDAC6 (1.00) KAT2BEP300CREBBPKAT2AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170136030-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY WASHINGTON UNIVERSITY (US) 2017-05-18 US disclosed
US-20170136030-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY WASHINGTON UNIVERSITY (US) 2017-05-18 US disclosed
US-20160046651-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY UNIV WASHINGTON (US) 2016-02-18 US disclosed
US-20160046651-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY UNIV WASHINGTON (US) 2016-02-18 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 (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-20160046651-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY IMPDH1, IMPDH2, SHMT2 KAT2B 4565/4885EP300 3342/4885CREBBP 2218/4885
US-20170136030-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY IMPDH1, IMPDH2, SHMT2 KAT2B 4565/4885EP300 3342/4885CREBBP 2218/4885

“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.