SCHEMBL2186785

SCHEMBL2186785

CN(C)/C=C1/Cc2ccccc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
MAOA P21397 3/20 0.59
MAOB P27338 3/20 0.59
MIF P14174 3/20 0.57
ACHE P22303 4/20 0.54
BCHE P06276 2/20 0.54
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
HIF1A Q16665 1/20 0.52
CYP19A1 P11511 2/20 0.51
TNF P01375 2/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL2186787 1.00 KDM4E (1.00) KDM4EMEN1KMT2AMAOAMAOB
SCHEMBL11296118 1.00 KDM4E (1.00) KDM4EMEN1KMT2AMAOAMAOB
SCHEMBL2433443 0.84 KMT2A (0.73) KDM4EMEN1KMT2AMAOBMIF
SCHEMBL30938685 0.84 KMT2A (0.73) KDM4EMEN1KMT2AMAOBMIF
SCHEMBL14090173 0.84 KMT2A (0.73) KDM4EMEN1KMT2AMAOBMIF
SCHEMBL2433441 0.84 KMT2A (0.73) KDM4EMEN1KMT2AMAOBMIF
SCHEMBL2490099 0.81 MEN1 (0.69) KDM4EMEN1KMT2AMAOAMAOB
SCHEMBL2490100 0.81 MEN1 (0.69) KDM4EMEN1KMT2AMAOAMAOB
SCHEMBL25703544 0.79 KDM4E (0.66) KDM4EMEN1KMT2AMAOAMAOB
SCHEMBL9042338 0.79 MEN1 (0.66) KDM4EMEN1KMT2AMAOBMIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550788-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2017-01-24 US disclosed
EP-2342178-B1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI SA (FR) 2016-09-28 EP disclosed
US-20140349986-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI (FR) 2014-11-27 US disclosed
US-8822449-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2014-09-02 US disclosed
US-20110201590-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2011-08-18 US disclosed
EP-2342178-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF Sanofi-Aventis (FR) 2011-07-13 EP disclosed
WO-2010025856-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2010-03-11 WO disclosed
US-6599908-B1 Potent and selective inhibitors of the protein tyrosine kinases p56lck and p59fyn CELLTECH R & D LIMITED (GB) 2003-07-29 US disclosed
US-6057329-A Fused polycyclic 2-aminopyrimidine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2000-05-02 US disclosed
EP-0946523-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1999-10-06 EP disclosed
WO-1998028281-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-07-02 WO disclosed
US-4164514-A 2-Aminomethyleneindanone analgesic agents PFIZER INC. (US) 1979-08-14 US disclosed
US-4117012-A AMINES, QUATERNARY AMMONIUM COMPOUNDS, OLEFIN EPOXIDES, HYDROXYQUINOLINES, AMINE PHENOXIDES, GLYCIDYL HALIDES AND ETHERS PFIZER INC. (US) 1978-09-26 US disclosed
US-4064272-A 2-Aminomethyleneindanone analgesic agents PFIZER INC. (US) 1977-12-20 US disclosed
US-4022836-A 2-Aminomethyleneindanone analgesic agents PFIZER INC. (US) 1977-05-10 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-20110201590-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF CFTR, AADAT, PKD1 KDM4E 3586/4885MEN1 2312/4885KMT2A 3613/4885
US-20140349986-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF CFTR, AADAT, FANCI KDM4E 3330/4885MEN1 2112/4885KMT2A 3591/4885

“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.