SCHEMBL15528574

SCHEMBL15528574

NC(=O)c1ccc(CN2CCc3cc(Br)ccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.65
HDAC6 Q9UBN7 13/20 0.65
HDAC8 Q9BY41 8/20 0.65
HDAC3 O15379 2/20 0.61
HDAC4 P56524 2/20 0.61
HDAC7 Q8WUI4 2/20 0.61
HDAC2 Q92769 2/20 0.61
HDAC11 Q96DB2 2/20 0.61
HDAC9 Q9UKV0 2/20 0.61
HDAC5 Q9UQL6 2/20 0.61
CYP2C19 P33261 1/20 0.61
HDAC10 Q969S8 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALOX5 P09917 1/20 0.47
EPHX2 P34913 1/20 0.45
SLC22A12 Q96S37 1/20 0.45

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
SCHEMBL15612755 0.89 HDAC1 (0.70) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL15528419 0.84 HDAC1 (0.65) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL15528541 0.84 HDAC1 (0.71) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL15612995 0.83 HDAC1 (0.65) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL16558080 0.82 HDAC1 (0.64) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL28247407 0.82 HDAC1 (0.63) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL28635779 0.81 HDAC1 (0.78) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL15524919 0.80 ALOX5 (0.58) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL5773620 0.80 HDAC1 (0.61) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL7338251 0.79 HDAC1 (0.54) HDAC1HDAC6HDAC8MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447069-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-09-20 US disclosed
US-9447069-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-09-20 US disclosed
US-9447069-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-09-20 US disclosed
US-20150099779-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-04-09 US disclosed
US-20150099779-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-04-09 US disclosed
US-20150099779-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-04-09 US disclosed
EP-2844260-A1 ROR MODULATORS AND THEIR USES Gaweco, Anderson (US) 2015-03-11 EP disclosed
WO-2013166015-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-11-07 WO disclosed
WO-2013166015-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-11-07 WO 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-20150099779-A1 ROR MODULATORS AND THEIR USES RORB, RORA, RORC HDAC1 460/4885HDAC6 381/4885HDAC8 426/4885

“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.