SCHEMBL2688009

SCHEMBL2688009

COc1cccc(-c2nc3cc(-c4nc5ccccc5o4)ccc3n2C2CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.48
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
KMT2A Q03164 3/20 0.43
F2 P00734 1/20 0.43
HSPD1 P10809 1/20 0.43
PTPN2 P17706 1/20 0.43

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
SCHEMBL2688761 0.92 NPC1 (0.46) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL2688404 0.88 MET (0.43) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL2687682 0.86 CNR1 (0.44) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL2688954 0.85 NPC1 (0.49) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL2688587 0.83 CYP11B2 (0.42) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL2686059 0.83 OPRM1 (0.43) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL2688684 0.83 MET (0.44) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL2686700 0.83 CYP11B2 (0.57) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL10219917 0.82 MET (0.43) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL2686461 0.81 MET (0.41) NPC1RAB9AALDH1A1HPGDSMN1; SMN2

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 8 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
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
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 NPC1 525/4885RAB9A 2914/4885ALDH1A1 1772/4885

“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.