SCHEMBL14967309

SCHEMBL14967309

COC(C)(C)c1ccc(C(=O)NCc2c(C)cc(C)nc2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NR1H4 Q96RI1 5/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ KLKB1 P03952 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CHRM4 P08173 1/20 0.38

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
SCHEMBL14966192 0.87 EPHX2 (0.43) EPHX2SMN1; SMN2NR1H4MEN1KMT2A
SCHEMBL14966830 0.81 KLKB1 (0.44) SMN1; SMN2NR1H4MEN1KMT2AKLKB1
SCHEMBL14966828 0.81 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL14966808 0.80 KLKB1 (0.51) SMN1; SMN2NR1H4MAPTLMNAKLKB1
SCHEMBL14967422 0.79 MAPK14 (0.56) SMN1; SMN2MEN1KMT2ALMNAHTT
SCHEMBL14969160 0.78 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL14966450 0.78 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL14966526 0.78 KLKB1 (0.40) SMN1; SMN2NR1H4MEN1KMT2ARAB9A
SCHEMBL14966781 0.78 RAB9A (0.47) EPHX2SMN1; SMN2NR1H4RAB9ANPC1
SCHEMBL14966621 0.78 HDAC1 (0.50) SMN1; SMN2MAPTLMNAHTTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051269-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-06-09 — — US claimed
US-9409865-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation_Pharmaceuticals, Inc. (US) 2016-08-09 — — US disclosed
US-9409865-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation_Pharmaceuticals, Inc. (US) 2016-08-09 — — US disclosed
US-20150315148-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-11-05 — — US disclosed
US-20150315148-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-11-05 — — US disclosed
US-9051269-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-06-09 — — US disclosed
US-9051269-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-06-09 — — US disclosed
US-20140315949-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-10-23 — — US disclosed
US-20140315949-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-10-23 — — US disclosed
EP-2780013-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 — — EP disclosed
WO-2013075084-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 — — WO disclosed
WO-2013075084-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 — — 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 (2 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-20150315148-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 EPHX2 574/4885SMN1; SMN2 3191/4885NR1H4 3616/4885
US-20140315949-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 EPHX2 574/4885SMN1; SMN2 3191/4885NR1H4 3616/4885

“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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