SCHEMBL4210000

SCHEMBL4210000

CCn1c(-c2ccc(F)cc2)c(OCCOc2ccc(C(C)=O)cc2)c(=O)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
MAOB P27338 2/20 0.41
GRIK2 Q13002 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
MAPK14 Q16539 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
BACE1 P56817 1/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.38

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 0.88 HTT (0.46) SMN1; SMN2HTTMAOBALDH1A1KDM4E
SCHEMBL5048604 0.85 HTT (0.45) SMN1; SMN2HTTMAOBALDH1A1KDM4E
SCHEMBL4038497 0.84 GRIK2 (0.35) SMN1; SMN2MAOBGRIK2ALDH1A1KDM4E
SCHEMBL5048994 0.84 GRIK2 (0.35) SMN1; SMN2MAOBGRIK2ALDH1A1KDM4E
SCHEMBL14011415 0.83 GRIK2 (0.34) SMN1; SMN2MAOBGRIK2ALDH1A1KDM4E
SCHEMBL4216145 0.80 MAOB (0.43) SMN1; SMN2HTTMAOBALDH1A1MAPT
SCHEMBL14011598 0.79 HTT (0.47) SMN1; SMN2HTTMAOBALDH1A1KDM4E
SCHEMBL4212761 0.78 SMN1; SMN2 (0.46) SMN1; SMN2HTTMAOBALDH1A1KDM4E
SCHEMBL5044605 0.78 THRB (0.43) SMN1; SMN2HTTMAOBALDH1A1POLB
SCHEMBL4218108 0.78 HTT (0.44) SMN1; SMN2HTTMAOBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678157-A4 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS INC (US) 2009-03-18 EP disclosed
US-7456288-B2 Heterocyclic compounds and methods of making and using thereof REDDY US THERAPEUTICS, INC. (US) 2008-11-25 US disclosed
EP-1678157-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF Reddy US Therapeutics, Inc. (US) 2006-07-12 EP 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-2005042712-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS, INC. (US) 2005-05-12 WO 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 SMN1; SMN2 1448/4885HTT 2969/4885MAOB 962/4885

“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.