SCHEMBL1133650

SCHEMBL1133650

CC(C)(C)OC(=O)Nc1ccc(O)c2cccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
PKM P14618 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
METAP1 P53582 1/20 0.47
KDM4E B2RXH2 4/20 0.46
IDO1 P14902 2/20 0.44
PDE4D Q08499 1/20 0.43
UQCRB P14927 1/20 0.43
FTO Q9C0B1 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
COMT P21964 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM6B O15054 1/20 0.40
KDM6A O15550 1/20 0.40
TET3 O43151 1/20 0.40

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
SCHEMBL1133560 0.90 KDM4E (0.54) TDP1METAP1KDM4EIDO1PDE4D
SCHEMBL18216600 0.84 SLC40A1 (0.51) KMT2AMEN1METAP1LMNAHTT
SCHEMBL367901 0.80 IDO1 (0.54) KMT2AMEN1IDO1NPC1RAB9A
SCHEMBL29662262 0.80 IDO1 (0.54) KMT2AMEN1IDO1NPC1RAB9A
SCHEMBL22556188 0.80 TDP1 (0.61) KMT2AMEN1TDP1METAP1KDM4E
SCHEMBL13667124 0.78 METAP1 (0.41) KMT2AMEN1METAP1KDM4EPDE4D
SCHEMBL2392457 0.77 METAP1 (0.56) KMT2AMEN1METAP1LMNARAB9A
SCHEMBL17981261 0.77 METAP1 (0.53) KMT2AMEN1METAP1NPC1RAB9A
SCHEMBL12790198 0.77 HTT (0.41) KMT2AMEN1METAP1PDE4DHTT
SCHEMBL116767 0.76 MEN1 (0.65) KMT2AMEN1METAP1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285805-B1 ARYL-QUINOLYL COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2014-07-23 EP disclosed
EP-2285805-B1 ARYL-QUINOLYL COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2014-07-23 EP disclosed
US-8383816-B2 Aryl-quinolyl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-02-26 US disclosed
US-8383816-B2 Aryl-quinolyl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-02-26 US disclosed
CN-102066371-A Aryl-quinolyl compounds and their use CANCER REC TECH LTD 2011-05-18 CN disclosed
US-20110053946-A1 Aryl-Quinolyl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-03-03 US disclosed
US-20110053946-A1 Aryl-Quinolyl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-03-03 US disclosed
EP-2285805-A1 ARYL-QUINOLYL COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2011-02-23 EP disclosed
WO-2009130487-A1 ARYL-QUINOLYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-29 WO disclosed
WO-2009130487-A1 ARYL-QUINOLYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-29 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-20110053946-A1 Aryl-Quinolyl Compounds and Their Use BRAF, NRAS, ARAF KMT2A 1119/4885MEN1 3448/4885PKM 2443/4885

“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.