SCHEMBL17186798

SCHEMBL17186798

CC(C)(Oc1ccc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 3/20 0.51
▸ MAPT P10636 8/20 0.49
▸ KMT2A Q03164 7/20 0.49
▸ MEN1 O00255 6/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ HTT P42858 6/20 0.49
▸ HPGD P15428 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ GCK P35557 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ GAA P10253 4/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ XBP1 P17861 1/20 0.42

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
SCHEMBL17186796 0.80 ALDH1A1 (0.47) HSPB1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL24543072 0.76 GCK (0.47) KMT2AMEN1SMN1; SMN2GCKALDH1A1
SCHEMBL17186770 0.76 HSPB1 (0.47) HSPB1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL17186717 0.75 MEN1 (0.47) MAPTKMT2AMEN1SMN1; SMN2HTT
SCHEMBL9824190 0.75 S1PR4 (0.47) HSPB1MAPTKMT2AMEN1HTT
SCHEMBL1417642 0.74 GCK (0.50) MAPTGCKEPHX2
SCHEMBL17186686 0.73 CYP1A2 (0.64) MAPTKMT2AMEN1SMN1; SMN2HTT
SCHEMBL7063751 0.72 KMT2A (0.85) MAPTKMT2AMEN1SMN1; SMN2HTT
SCHEMBL27862309 0.72 KMT2A (0.44) MAPTKMT2AMEN1SMN1; SMN2HTT
SCHEMBL2655805 0.72 GCK (0.52) KMT2AMEN1GCKALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718817-B2 Aryl and heteroaryl ether compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-01 — — US disclosed
EP-3131880-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2017-02-22 — — EP disclosed
US-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-01-26 — — US disclosed
WO-2015159233-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-10-22 — — 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-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC HSPB1 1112/4885MAPT 842/4885KMT2A 1211/4885

“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.

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