SCHEMBL3666516

SCHEMBL3666516

CC(C)(C)OC(=O)NC1CCNc2c(Br)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM1A O60341 2/20 0.37
▸ MAOB P27338 1/20 0.37
▸ NFKB1 P19838 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ DRD2 P14416 2/20 0.33

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
SCHEMBL27821186 0.81 GAA (0.38) EPHX2GAAKDM1AMAOBNFKB1
SCHEMBL13769765 0.81 ACACB (0.39) EPHX2KMT2ANPC1MEN1HTT
SCHEMBL1932403 0.80 EPHX2 (0.53) EPHX2GAAKMT2AKDM1AMAOB
SCHEMBL1868501 0.79 UCHL1 (0.41) EPHX2GAAKMT2ANPC1MEN1
SCHEMBL29771950 0.79 UCHL1 (0.41) EPHX2GAAKMT2ANPC1MEN1
SCHEMBL1873295 0.79 UCHL1 (0.41) EPHX2GAAKMT2ANPC1MEN1
SCHEMBL1868500 0.79 UCHL1 (0.41) EPHX2GAAKMT2ANPC1MEN1
SCHEMBL13751294 0.79 AAK1 (0.39) EPHX2KMT2ANPC1MEN1HTT
SCHEMBL3720005 0.79 MTNR1A (0.38) KMT2ANPC1MEN1HTTRAB9A
SCHEMBL16814171 0.79 EPHX2 (0.41) EPHX2GAANPC1RAB9AKDM1A

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
EP-2231668-A1 CONDENSED PENTACYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF FLAVIVIRIDAE INFECTIONS GlaxoSmithKline LLC (US) 2010-09-29 — — EP disclosed
US-20090197856-A1 ANTIVIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2009-08-06 — — US disclosed
US-20090197856-A1 ANTIVIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2009-08-06 — — US disclosed
WO-2009086139-A1 CONDENSED PENTACYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF FLAVIVIRIDAE INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-07-09 — — 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-20090197856-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, EIF2AK2, MAVS EPHX2 4110/4885GAA 108/4885KMT2A 4248/4885

“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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