SCHEMBL541048

SCHEMBL541048

COC(=O)CCCCC(=O)Nc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.68
HDAC4 P56524 13/20 0.65
HDAC1 Q13547 13/20 0.65
HDAC11 Q96DB2 13/20 0.65
HDAC8 Q9BY41 13/20 0.65
HDAC6 Q9UBN7 13/20 0.65
HDAC5 Q9UQL6 13/20 0.65
HDAC7 Q8WUI4 12/20 0.65
HDAC9 Q9UKV0 12/20 0.65
HDAC3 O15379 12/20 0.65
HDAC2 Q92769 12/20 0.65
HDAC10 Q969S8 12/20 0.65
KDM4E B2RXH2 1/20 0.65
BRD4 O60885 1/20 0.65
NCOR1 O75376 1/20 0.65
NR1I2 O75469 1/20 0.65
EGFR P00533 1/20 0.65
CYP3A4 P08684 1/20 0.65
LTA4H P09960 1/20 0.65
NR0B1 P51843 1/20 0.65

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
SCHEMBL313148 0.98 HDAC4 (0.68) LMNAHDAC4HDAC1HDAC11HDAC8
SCHEMBL31635262 0.89 L3MBTL1 (0.69) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL5346635 0.89 ALDH1A1 (0.74) LMNAKDM4EMEN1ALDH1A1MAPT
SCHEMBL22470272 0.88 TMEM97 (0.57) LMNAHDAC4HDAC1HDAC11HDAC8
SCHEMBL517309 0.87 HDAC4 (0.81) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL31635250 0.87 PTPRC (0.65) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL22439784 0.86 LMNA (0.63) LMNAHDAC4HDAC1HDAC11HDAC8
SCHEMBL17457478 0.85 MAPT (0.82) LMNAHDAC4HDAC1HDAC11HDAC8
SCHEMBL17457479 0.85 MAPT (0.82) LMNAHDAC4HDAC1HDAC11HDAC8
SCHEMBL4581162 0.85 HDAC6 (0.73) HDAC4HDAC1HDAC11HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180201592-A1 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS F2G LIMITED (GB) 2018-07-19 US disclosed
EP-3322705-A1 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS F2G Limited (GB) 2018-05-23 EP disclosed
WO-2017009651-A1 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS F2G LIMITED (GB) 2017-01-19 WO disclosed
US-8735586-B2 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI (FR) 2014-05-27 US disclosed
US-8188282-B2 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
EP-2044033-B1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2012-02-08 EP disclosed
EP-2173721-B1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-28 EP disclosed
US-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-10-14 US disclosed
EP-2173721-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2010-04-14 EP disclosed
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2009-08-13 US disclosed
EP-2044033-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2009-04-08 EP disclosed
WO-2009000413-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 WO disclosed
WO-2008009348-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-01-24 WO disclosed
EP-1878724-A1 A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles sanofi-aventis (FR) 2008-01-16 EP 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-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles AZI2, NISCH, UQCRB LMNA 4203/4885HDAC4 1471/4885HDAC1 628/4885
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles DDT, NIT2, PADI1 LMNA 4413/4885HDAC4 1100/4885HDAC1 586/4885
US-20180201592-A1 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS NAT1, DPM1, IL4I1 LMNA 3692/4885HDAC4 1307/4885HDAC1 2572/4885

“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.