SCHEMBL15528568

SCHEMBL15528568

O=C1CCc2cc(-c3cn[nH]c3)ccc2N1Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.45
HDAC1 Q13547 7/20 0.41
HDAC8 Q9BY41 6/20 0.41
EPHB4 P54760 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
BRD4 O60885 2/20 0.38
RORC P51449 2/20 0.38
ROCK2 O75116 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
POLB P06746 1/20 0.37
USP1 O94782 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL15603609 0.92 USP1 (0.42) HDAC6EPHB4BRD4RORCROCK2
SCHEMBL15528813 0.84 EPHB4 (0.41) HDAC6HDAC1HDAC8EPHB4BRD4
SCHEMBL15603551 0.83 HDAC1 (0.47) HDAC6HDAC1HDAC8EPHB4BRD4
SCHEMBL15528999 0.79 HDAC6 (0.44) HDAC6HDAC1HDAC8CYP1A2CYP11B1
SCHEMBL15528994 0.79 HDAC6 (0.45) HDAC6HDAC1HDAC8CYP1A2CYP11B1
SCHEMBL15529030 0.78 HDAC6 (0.65) HDAC6HDAC1HDAC8RORCNR1H2
SCHEMBL15525685 0.78 ATAD2 (0.54) HDAC6HDAC1HDAC8RORCNR1H2
SCHEMBL15529255 0.77 HDAC6 (0.46) HDAC6HDAC1HDAC8BRD4RORC
SCHEMBL15528964 0.77 HDAC6 (0.46) HDAC6HDAC1HDAC8RORCNR1H2
SCHEMBL16558084 0.76 HDAC6 (0.44) HDAC6HDAC1HDAC8BRD4RORC

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 HDAC6 381/4885HDAC1 460/4885HDAC8 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.