SCHEMBL30763497

SCHEMBL30763497

CC(C)(C)OC(=O)N(Cc1ccc(Br)cn1)c1ccnc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.49
HDAC8 Q9BY41 9/20 0.49
HDAC6 Q9UBN7 9/20 0.49
SSTR4 P31391 1/20 0.37
SOS1 Q07889 1/20 0.36
F2 P00734 4/20 0.34
DGAT1 O75907 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
CETP P11597 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
SCHEMBL21614699 0.89 HDAC1 (0.49) HDAC1HDAC8HDAC6SSTR4F2
SCHEMBL21611921 0.86 HDAC4 (0.35) HDAC1HDAC8HDAC6GRIN1GRIN2B
SCHEMBL30763505 0.82 HDAC1 (0.41) HDAC1HDAC8HDAC6SSTR4SOS1
SCHEMBL21611932 0.76 F2 (0.37) HDAC1HDAC8HDAC6SSTR4SOS1
SCHEMBL30017260 0.75 SOS1 (0.42) SSTR4SOS1F2GRIN1GRIN2B
SCHEMBL30017271 0.74 BRD4 (0.40) SSTR4SOS1GRIN1GRIN2B
SCHEMBL20177003 0.74 HTR2C (0.42) HDAC1HDAC8HDAC6SSTR4DGAT1
SCHEMBL29686229 0.74 HTR2C (0.42) HDAC1HDAC8HDAC6SSTR4DGAT1
SCHEMBL25523616 0.71 SSTR4 (0.42) HDAC1HDAC8HDAC6SSTR4DGAT1
SCHEMBL21614712 0.71 CACNA1G (0.40) HDAC1HDAC8HDAC6AAK1

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-11883387-B2 PqsR inverse agonists Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2024-01-30 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-11883387-B2 PqsR inverse agonists QRFPR, P2RY11, QARS1 HDAC1 3152/4885HDAC8 3862/4885HDAC6 1724/4885

“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.