SCHEMBL2687348

SCHEMBL2687348

COc1ccc2oc(-c3ccc4c(c3)nc(C)n4C3CCOCC3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.47
RPS6KB1 P23443 1/20 0.47
GSK3B P49841 1/20 0.47
ROCK1 Q13464 1/20 0.47
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 3/20 0.45
HPGD P15428 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
KDM4E B2RXH2 3/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
HSD17B10 Q99714 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GLA P06280 1/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44

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
SCHEMBL2686348 0.89 IDH1 (0.43) PRKACARPS6KB1GSK3BROCK1ALDH1A1
SCHEMBL2687278 0.88 KDM4E (0.51) PRKACARPS6KB1GSK3BALDH1A1SMN1; SMN2
SCHEMBL2686940 0.86 KDM4E (0.51) ALDH1A1SMN1; SMN2HPGDTDP1KDM4E
SCHEMBL2688684 0.85 MET (0.44) ALDH1A1SMN1; SMN2TP53HPGDTDP1
SCHEMBL2688389 0.84 USP2 (0.47) ALDH1A1SMN1; SMN2TP53HPGDTDP1
SCHEMBL10219658 0.84 USP2 (0.39) ALDH1A1SMN1; SMN2TP53HPGDTDP1
SCHEMBL2687032 0.84 CETP (0.49) PKMHDAC6USP2
SCHEMBL2687040 0.84 MAPT (0.49) ALDH1A1SMN1; SMN2TP53HPGDTDP1
SCHEMBL2688345 0.84 RPS6KB1 (0.51) RPS6KB1ALDH1A1SMN1; SMN2TP53HPGD
SCHEMBL2688342 0.83 USP2 (0.58) ALDH1A1SMN1; SMN2TP53TDP1KDM4E

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
US-8829035-B2 Agent for treatment or prevention of diseases associated with activity of neurotrophic factors SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-09 US disclosed
US-8829035-B2 Agent for treatment or prevention of diseases associated with activity of neurotrophic factors SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-09 US disclosed
EP-2436683-B1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL CO (JP) 2014-05-14 EP disclosed
US-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-10 US disclosed
US-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-10 US disclosed
WO-2010137349-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS 住友化学株式会社 (JP) 2010-12-02 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-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS BDNF, NGF, NTRK2 PRKACA 2886/4885RPS6KB1 1919/4885GSK3B 4495/4885

“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.