SCHEMBL2687461

SCHEMBL2687461

COc1cccc(-n2c(C)nc3cc(-c4nc5ccccc5o4)ccc32)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.54
▸ ALDH1A1 P00352 8/20 0.51
▸ HPGD P15428 8/20 0.51
▸ SMN1; SMN2 Q16637 7/20 0.51
▸ NPC1 O15118 7/20 0.51
▸ KDM4E B2RXH2 7/20 0.51
▸ RAB9A P51151 6/20 0.51
▸ HSD17B10 Q99714 5/20 0.51
▸ TP53 P04637 3/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ NFKB2 Q00653 2/20 0.51
▸ RELA Q04206 2/20 0.51
▸ GLA P06280 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PTPN2 P17706 2/20 0.49
▸ PTPN1 P18031 2/20 0.49
▸ PTPN5 P54829 2/20 0.49
▸ HSPD1 P10809 1/20 0.49
▸ HSPE1 P61604 1/20 0.49

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
SCHEMBL2689901 0.90 NPC1 (0.52) THRBALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL2686770 0.88 MAPK1 (0.55) ALDH1A1HPGDSMN1; SMN2NPC1KDM4E
SCHEMBL2686599 0.82 NPC1 (0.58) ALDH1A1HPGDSMN1; SMN2NPC1KDM4E
SCHEMBL2687352 0.81 NPC1 (0.46) ALDH1A1HPGDSMN1; SMN2NPC1KDM4E
SCHEMBL592290 0.79 ALDH1A1 (0.72) ALDH1A1HPGDSMN1; SMN2NPC1KDM4E
SCHEMBL2688110 0.77 NPC1 (0.55) ALDH1A1HPGDSMN1; SMN2NPC1KDM4E
SCHEMBL27848308 0.75 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2NPC1KDM4E
SCHEMBL2688009 0.74 NPC1 (0.48) ALDH1A1HPGDSMN1; SMN2NPC1KDM4E
SCHEMBL2688885 0.74 NPC1 (0.50) ALDH1A1HPGDSMN1; SMN2NPC1KDM4E
SCHEMBL2687383 0.74 KDM4E (0.55) ALDH1A1HPGDSMN1; SMN2NPC1KDM4E

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 7 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

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 THRB 405/4885ALDH1A1 1772/4885HPGD 1524/4885

“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.

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