SCHEMBL356011

SCHEMBL356011

CCNc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MAPT P10636 5/20 0.54
KDM4E B2RXH2 4/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
GAA P10253 3/20 0.54
GFER P55789 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HPGD P15428 2/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.50
PLEC Q15149 1/20 0.50
LMNA P02545 3/20 0.45
CFTR P13569 1/20 0.45
ATM Q13315 1/20 0.44
PTPN5 P54829 1/20 0.43
PKM P14618 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KIF11 P52732 1/20 0.42
RAB9A P51151 2/20 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
SCHEMBL376030 0.86 MAPT (0.47) ALDH1A1MAPTKDM4EL3MBTL1GAA
SCHEMBL29540627 0.86 MAPT (0.47) ALDH1A1MAPTKDM4EL3MBTL1GAA
SCHEMBL356336 0.86 L3MBTL1 (0.51) ALDH1A1MAPTKDM4EL3MBTL1GAA
SCHEMBL112521 0.86 LMNA (0.56) ALDH1A1MAPTKDM4EL3MBTL1GAA
SCHEMBL3244295 0.83 MAPT (0.45) ALDH1A1MAPTKDM4EL3MBTL1GAA
SCHEMBL7191685 0.83 L3MBTL1 (0.49) ALDH1A1MAPTKDM4EL3MBTL1GAA
SCHEMBL28239300 0.82 MAPT (0.44) ALDH1A1MAPTKDM4EL3MBTL1GAA
SCHEMBL14015041 0.81 VDR (0.45) ALDH1A1MAPTKDM4EL3MBTL1GAA
SCHEMBL356821 0.81 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EL3MBTL1GAA
SCHEMBL20198518 0.81 MAPT (0.47) ALDH1A1MAPTKDM4EL3MBTL1GAA

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
EP-3610872-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EPICS THERAPEUTICS (BE) 2020-02-19 EP disclosed
EP-3074008-B1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATION EPICS THERAPEUTICS (BE) 2019-09-04 EP disclosed
EP-2424856-B1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-31 EP disclosed
CN-102414195-B Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL CO 2014-11-12 CN disclosed
US-20130150350-A1 Derivatives of 1-Phenyl-1,5-Dihydro-Benzo[B] [1,4]Diazepine-2,4-Dione as Inhibitors of HIV Replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
US-20130150350-A1 Derivatives of 1-Phenyl-1,5-Dihydro-Benzo[B] [1,4]Diazepine-2,4-Dione as Inhibitors of HIV Replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 US disclosed
WO-2011100838-A1 DERIVATIVES OF 1-PHENYL-1,5-DIHYDRO-BENZO[B] [1.4]DIAZEPINE-2.4-DIONE AS INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 WO disclosed
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 US disclosed
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 US disclosed
WO-2008056150-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2008-05-15 WO disclosed
US-4263441-A BENZOXAZOLE DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1981-04-21 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 (4 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-20130150350-A1 Derivatives of 1-Phenyl-1,5-Dihydro-Benzo[B] [1,4]Diazepine-2,4-Dione as Inhibitors of HIV Replication MED1, ZC3HAV1, BET1 ALDH1A1 1813/4885MAPT 2354/4885KDM4E 197/4885
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 ALDH1A1 1409/4885MAPT 4423/4885KDM4E 3947/4885
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY EDF1, ERLIN1, ECE1 ALDH1A1 1056/4885MAPT 4806/4885KDM4E 2122/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 ALDH1A1 1409/4885MAPT 4423/4885KDM4E 3947/4885

“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.