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Sugi Predict / Compounds / SCHEMBL15525682

SCHEMBL15525682

SCHEMBL15525682

Nc1ccc2c(c1)CCCN2Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 14/20 0.48
▸ HDAC6 Q9UBN7 14/20 0.48
▸ HDAC8 Q9BY41 8/20 0.48
▸ HDAC3 O15379 3/20 0.48
▸ HDAC2 Q92769 3/20 0.48
▸ HDAC4 P56524 2/20 0.48
▸ HDAC7 Q8WUI4 2/20 0.48
▸ HDAC11 Q96DB2 2/20 0.48
▸ HDAC9 Q9UKV0 2/20 0.48
▸ HDAC5 Q9UQL6 2/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.47
▸ NCOR2 Q9Y618 1/20 0.47
▸ NR1H3 Q13133 4/20 0.46
▸ RORC P51449 2/20 0.45
▸ NR1I2 O75469 1/20 0.45
▸ NR1H2 P55055 1/20 0.45
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL15525689 0.93 NR1H3 (0.44) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL21237540 0.88 NPC1 (0.50) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL15532137 0.86 HDAC1 (0.60) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL15528819 0.84 HDAC1 (0.70) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL15612911 0.84 HDAC1 (0.57) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL15528824 0.83 HDAC1 (0.48) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL16558083 0.83 HDAC1 (0.59) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL15601418 0.81 HDAC1 (0.47) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL16558081 0.81 HDAC1 (0.46) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL15524906 0.80 KDM4E (0.43) HDAC1HDAC6HDAC8HDAC3HDAC2

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-9321750-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-04-26 — — US disclosed
US-9321750-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-04-26 — — US disclosed
US-9321750-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-04-26 — — US disclosed
US-20150284366-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-10-08 — — US disclosed
US-20150284366-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-10-08 — — US disclosed
US-20150284366-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-10-08 — — US disclosed
EP-2844247-A1 ROR MODULATORS AND THEIR USES Gaweco, Anderson (US) 2015-03-11 — — EP disclosed
WO-2013159095-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-10-24 — — WO disclosed
WO-2013159095-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-10-24 — — 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-20150284366-A1 ROR MODULATORS AND THEIR USES RORA, RORB, RORC HDAC1 583/4885HDAC6 501/4885HDAC8 535/4885

“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.