SCHEMBL5048604

SCHEMBL5048604

CC(=O)c1ccc(OCCCOc2c(-c3ccc(F)cc3)n(C)c3ccccc3c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BRD4 O60885 2/20 0.43
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.41
HTR5A P47898 2/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
WDR5 P61964 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4220932 0.97 HTT (0.46) HTTSMN1; SMN2BRD4HPGDHSD17B10
SCHEMBL4210774 0.90 MAOB (0.47) HTTSMN1; SMN2BRD4KMT2AMAOB
SCHEMBL14011598 0.88 HTT (0.47) HTTSMN1; SMN2HPGDHSD17B10KMT2A
SCHEMBL4216145 0.87 MAOB (0.43) HTTSMN1; SMN2MAPTL3MBTL1MAOB
SCHEMBL5044605 0.87 THRB (0.43) HTTSMN1; SMN2MAPTL3MBTL1MAOB
SCHEMBL4212761 0.87 SMN1; SMN2 (0.46) HTTSMN1; SMN2HPGDHSD17B10KMT2A
SCHEMBL4208245 0.87 BRD4 (0.42) SMN1; SMN2BRD4HPGDHSD17B10KMT2A
SCHEMBL4218108 0.87 HTT (0.44) HTTSMN1; SMN2BRD4HPGDHSD17B10
SCHEMBL4210000 0.85 SMN1; SMN2 (0.42) HTTSMN1; SMN2HPGDHSD17B10KMT2A
SCHEMBL4220227 0.85 BRD4 (0.44) HTTBRD4L3MBTL1NPSR1WDR5

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 2 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-20050119269-A1 Heterocyclic compounds and methods of making and using thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-02 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 (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 HTT 2969/4885SMN1; SMN2 1448/4885BRD4 784/4885

“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.