Sugi Predict

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SCHEMBL15529441

SCHEMBL15529441

OC1(c2ccc(CN3CCc4cc(-c5cn[nH]c5)ccc43)cc2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.42
▸ HDAC6 Q9UBN7 11/20 0.42
▸ HDAC8 Q9BY41 9/20 0.42
▸ BRD4 O60885 1/20 0.39
▸ ALOX5 P09917 3/20 0.36
▸ EPHX2 P34913 2/20 0.36
▸ HDAC3 O15379 2/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC7 Q8WUI4 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC11 Q96DB2 2/20 0.35
▸ HDAC9 Q9UKV0 2/20 0.35
▸ HDAC5 Q9UQL6 2/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ AKT1 P31749 2/20 0.35
▸ AKT2 P31751 2/20 0.35
▸ AKT3 Q9Y243 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ROCK2 O75116 1/20 0.35

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
SCHEMBL15603590 0.96 HDAC1 (0.46) HDAC1HDAC6HDAC8BRD4HDAC3
SCHEMBL15603583 0.84 HDAC1 (0.50) HDAC1HDAC6HDAC8BRD4HDAC3
SCHEMBL15528717 0.80 HDAC1 (0.49) HDAC1HDAC6HDAC8BRD4ALOX5
SCHEMBL15528990 0.79 BRD4 (0.41) HDAC1HDAC6HDAC8BRD4ALOX5
SCHEMBL15603620 0.79 TRPV1 (0.45) HDAC1HDAC6HDAC8BRD4ALOX5
SCHEMBL15528774 0.79 EPHB4 (0.52) HDAC1HDAC6HDAC8BRD4ALOX5
SCHEMBL15603574 0.78 HDAC1 (0.58) HDAC1HDAC6HDAC8BRD4HDAC3
SCHEMBL15528813 0.78 EPHB4 (0.41) HDAC1HDAC6HDAC8BRD4ALOX5
SCHEMBL15603592 0.78 EPHB4 (0.50) HDAC1HDAC6HDAC8BRD4HDAC3
SCHEMBL15603586 0.78 HDAC1 (0.47) HDAC1HDAC6HDAC8BRD4HDAC3

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.