SCHEMBL2687744

SCHEMBL2687744

CC(C)(C)ONC(=O)NCc1nc2cc(-c3nc4ccccc4o3)ccc2n1C1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
FASN P49327 2/20 0.38
HSD17B10 Q99714 5/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL10219625 0.89 MAPT (0.39) SMN1; SMN2MAPTKDM4EHPGDALDH1A1
SCHEMBL2688762 0.83 RAB9A (0.39) SMN1; SMN2MAPTKDM4EHPGDALDH1A1
SCHEMBL2687941 0.80 HSD17B10 (0.42) SMN1; SMN2MAPTKDM4EHPGDALDH1A1
SCHEMBL10219645 0.80 KDM4E (0.46) SMN1; SMN2MAPTKDM4EHPGDALDH1A1
SCHEMBL2686894 0.80 MET (0.42) SMN1; SMN2MAPTKDM4EHPGDALDH1A1
SCHEMBL15693817 0.79 HSD17B10 (0.41) SMN1; SMN2MAPTKDM4EHPGDALDH1A1
SCHEMBL2688562 0.79 MET (0.42) SMN1; SMN2MAPTKDM4EHPGDALDH1A1
Hydrochloric Acid SCHEMBL2688563 0.79 KDM4E (0.46) SMN1; SMN2MAPTKDM4EHPGDALDH1A1
SCHEMBL10219556 0.79 MET (0.43) SMN1; SMN2MAPTKDM4EHPGDALDH1A1
SCHEMBL2688409 0.79 VSIR (0.39) MAPTKDM4EALDH1A1HSD17B10HDAC6

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-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

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 SMN1; SMN2 157/4885MAPT 2988/4885KDM4E 4538/4885

“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.