SCHEMBL5048994

SCHEMBL5048994

CCn1c(-c2ccc(F)cc2)c(OCCOc2ccc(/C(C)=C3/SC(=O)NC3=O)cc2)c(=O)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 1/20 0.35
MAPK14 Q16539 1/20 0.35
HDAC4 P56524 3/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNA3 P22001 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CISD1 Q9NZ45 1/20 0.32
TP53 P04637 1/20 0.32
PARP1 P09874 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOB P27338 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL4038497 1.00 GRIK2 (0.35) GRIK2MAPK14HDAC4POLBLMNA
SCHEMBL5045164 0.91 KDM4E (0.36) HDAC4POLBKMT2AKCNA3ALDH1A1
SCHEMBL4036673 0.91 KDM4E (0.36) HDAC4POLBKMT2AKCNA3ALDH1A1
SCHEMBL4042288 0.89 KDM4E (0.36) HDAC4POLBKMT2AKCNA3ALDH1A1
SCHEMBL4042290 0.89 KDM4E (0.36) HDAC4POLBKMT2AKCNA3ALDH1A1
SCHEMBL14011669 0.85 ATM (0.32) HDAC4HDAC8PTPN1
SCHEMBL5043744 0.85 ATM (0.32) HDAC4HDAC8PTPN1
SCHEMBL5043749 0.85 ATM (0.32) HDAC4HDAC8PTPN1
SCHEMBL4210000 0.84 SMN1; SMN2 (0.42) GRIK2MAPK14POLBLMNAKMT2A
SCHEMBL5048738 0.84 KMT2A (0.37) POLBKMT2AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456288-B2 Heterocyclic compounds and methods of making and using thereof REDDY US THERAPEUTICS, INC. (US) 2008-11-25 US disclosed
US-7456288-B2 Heterocyclic compounds and methods of making and using thereof REDDY US THERAPEUTICS, INC. (US) 2008-11-25 US disclosed
US-7456288-B2 Heterocyclic compounds and methods of making and using thereof REDDY US THERAPEUTICS, INC. (US) 2008-11-25 US disclosed
US-20050119269-A1 Heterocyclic compounds and methods of making and using thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-02 US disclosed
WO-2005040163-A1 HETEROCYCLIC COMPOUNDS THAT BLOCK THE EFFECTS OF ADVANCED GLYCATION END PRODUCTS (AGE) DR. REDDY'S LABORATORIES LTD (IN) 2005-05-06 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-20050119269-A1 Heterocyclic compounds and methods of making and using thereof PYGM, MYLK, HMOX1 GRIK2 3673/4885MAPK14 309/4885HDAC4 1436/4885

“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.