SCHEMBL2586369

SCHEMBL2586369

COC(=O)c1ccc(OC(C)(C)C#N)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ ABCG2 Q9UNQ0 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
SCHEMBL2589895 0.87 ALDH1A1 (0.49) KMT2ANPC1MEN1ALDH1A1HPGD
SCHEMBL5438827 0.84 KMT2A (0.49) KMT2ANPC1MEN1SMN1; SMN2ALDH1A1
SCHEMBL25253104 0.82 KDM4E (0.39) KMT2ANPC1MEN1ALDH1A1HPGD
SCHEMBL30496649 0.82 KDM4E (0.39) KMT2ANPC1MEN1ALDH1A1HPGD
SCHEMBL1968929 0.81 KMT2A (0.49) KMT2ANPC1MEN1SMN1; SMN2ALDH1A1
Methyl 2,4-Dimethoxybenzoate SCHEMBL645462 0.78 KMT2A (0.64) KMT2ANPC1MEN1SMN1; SMN2ALDH1A1
SCHEMBL25253763 0.77 KDM4E (0.36) ALDH1A1HPGDMAPTKDM4EGAA
SCHEMBL15801242 0.76 AR (0.43) ALDH1A1MAPTGAAHSD17B10
SCHEMBL2586383 0.76 KMT2A (0.46) KMT2ANPC1MEN1SMN1; SMN2ALDH1A1
SCHEMBL825947 0.75 SMN1; SMN2 (0.49) KMT2ANPC1MEN1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 — — EP disclosed
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 — — EP disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 — — US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 — — US disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 — — US disclosed
EP-2595989-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2013-05-29 — — EP disclosed
WO-2013067248-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-10 — — WO disclosed
WO-2013067248-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-10 — — WO disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 — — US disclosed
WO-2011140425-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-10 — — WO disclosed
WO-2011140425-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-10 — — 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 (3 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-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 KMT2A 2425/4885NPC1 830/4885MEN1 2956/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 KMT2A 2425/4885NPC1 830/4885MEN1 2956/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 KMT2A 1990/4885NPC1 844/4885MEN1 3774/4885

“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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