SCHEMBL4912683

SCHEMBL4912683

COc1cc2ccccc2n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
DAO P14920 1/20 0.47
MCL1 Q07820 1/20 0.47
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 2/20 0.44
RECQL P46063 1/20 0.44
BRD4 O60885 1/20 0.44
BRPF1 P55201 1/20 0.44
KAT2B Q92831 1/20 0.44
BRD9 Q9H8M2 1/20 0.44
TERT O14746 1/20 0.43
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AHR P35869 1/20 0.41

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
SCHEMBL30193576 1.00 KMT2A (0.50) KMT2ACA12CA9DAOMCL1
Dimethylamine SCHEMBL11499079 0.94 KMT2A (0.46) KMT2ACA12CA9DAOMCL1
SCHEMBL721141 0.80 KMT2A (0.47) KMT2ACA12CA9DAOMCL1
SCHEMBL26049788 0.79 KMT2A (0.46) KMT2ACA12CA9DAOMCL1
SCHEMBL28298483 0.78 KMT2A (0.42) KMT2ADAOMCL1ALDH1A1MAPT
SCHEMBL6472453 0.78 SMN1; SMN2 (0.45) KMT2ACA12CA9DAOMCL1
SCHEMBL13665375 0.77 DAO (0.46) KMT2ACA12CA9DAOMCL1
SCHEMBL17321511 0.77 DAO (0.46) KMT2ACA12CA9DAOMCL1
SCHEMBL20436870 0.77 DAO (0.46) KMT2ACA12CA9DAOMCL1
SCHEMBL4198025 0.76 MCL1 (0.57) KMT2ACA12CA9DAOMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106928121-A The high efficiency preparation method of 3- substitution-benzo five-membered heterocycle -2- carbonyls 暨南大学 2017-07-07 CN disclosed
US-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
CN-101321726-A Novel fused pyrrole derivative DAINIPPON SUMITOMO PHARMA CO (JP) 2008-12-10 CN disclosed
US-20080262035-A1 Amide Derivatives as Inhibitors of Histone Deacetylase MERCK & CO., INC. 2008-10-23 US disclosed
EP-1768956-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-04-04 EP disclosed
WO-2006005955-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-01-19 WO disclosed
CN-1182086-A New bisimide compounds, process for preparing them and pharmaceutical compositions containing them ADIR (FR) 1998-05-20 CN disclosed
US-RE29834-E PREPARED FROM 4-SULFONYL-1,8-NAPHTHOLACTAMS BAYER AKTIENGESELLSCHAFT (DE) 1978-11-14 US disclosed
US-3959310-A BENZINDOLE BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US 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-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE MCHR1, MC5R, MCHR2 KMT2A 1001/4885CA12 3995/4885CA9 2808/4885
US-20080262035-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 KMT2A 51/4885CA12 1383/4885CA9 1354/4885

“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.