SCHEMBL3057599

SCHEMBL3057599

CCOC(=O)Cn1ccc2c(Oc3ccc(N)cn3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
LOXL2 Q9Y4K0 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 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
SCHEMBL13742248 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTLMNAPOLB
SCHEMBL3056981 0.79 RAB9A (0.51) KDM4EMAPTL3MBTL1NPSR1SMN1; SMN2
SCHEMBL3045763 0.78 KCNQ3 (0.44) ALDH1A1KDM4EMAPTLMNANPSR1
SCHEMBL19755839 0.77 LOXL2 (0.54) ALDH1A1KDM4ELOXL2MAPTLMNA
SCHEMBL28781864 0.77 PPARG (0.48) ALDH1A1KDM4EMAPTLMNAPOLB
SCHEMBL3913002 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTLMNAPOLB
SCHEMBL29612923 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTLMNAPOLB
SCHEMBL19755840 0.75 LOXL2 (0.55) ALDH1A1KDM4ELOXL2MAPTLMNA
SCHEMBL13742631 0.74 KDM4E (0.53) ALDH1A1KDM4EMAPTLMNAPOLB
SCHEMBL18072282 0.74 LOXL2 (0.71) LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 KEAP1 1502/4885ALDH1A1 741/4885KDM4E 2634/4885

“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.