SCHEMBL1163353

SCHEMBL1163353

CCOC(=O)Cc1c[nH]c2c(F)cc(Br)c(OC)c12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
PKM P14618 1/20 0.41
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
DPP4 P27487 2/20 0.34
POLB P06746 1/20 0.34
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TNF P01375 2/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL12559137 0.89 MTNR1A (0.38) KMT2AMTNR1AMTNR1BMEN1MAPT
SCHEMBL1163475 0.85 KDM4E (0.40) KMT2ATDP1MTNR1AMTNR1BALDH1A1
SCHEMBL1163403 0.85 MTNR1A (0.34) KMT2AMTNR1AMTNR1BMEN1POLB
SCHEMBL1163084 0.74 MEN1 (0.35) KMT2AALDH1A1MEN1KDM4EDPP4
SCHEMBL31062990 0.72 ALDH1A1 (0.42) KMT2ATDP1PKMALDH1A1MEN1
SCHEMBL31076057 0.72 ALDH1A1 (0.40) KMT2ATDP1PKMALDH1A1MEN1
SCHEMBL20346349 0.72 KMT2A (0.42) KMT2ATDP1PKMALDH1A1MEN1
SCHEMBL29150029 0.71 KMT2A (0.39) KMT2ATDP1PKMALDH1A1KDM4E
SCHEMBL1163197 0.70 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL27176786 0.70 CA1 (0.48) KMT2AMTNR1AMTNR1BALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT KMT2A 3140/4885TDP1 1092/4885PKM 2208/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT KMT2A 3140/4885TDP1 1092/4885PKM 2208/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT KMT2A 3140/4885TDP1 1092/4885PKM 2208/4885

“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.