SCHEMBL2686599

SCHEMBL2686599

COc1ccccc1-n1c(C)nc2cc(-c3nc4ccccc4o3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.58
▸ TP53 P04637 2/20 0.48
▸ HPSE Q9Y251 1/20 0.47
▸ PTGS2 P35354 2/20 0.46
▸ PTPN2 P17706 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ PTPN5 P54829 1/20 0.45
▸ ALOX5 P09917 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ HCRTR1 O43613 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ STAT1 P42224 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ TSHR P16473 3/20 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
SCHEMBL2689901 0.83 NPC1 (0.52) NPC1TP53PTPN2PTPN1PTPN5
SCHEMBL2687461 0.82 THRB (0.54) NPC1TP53PTPN2PTPN1PTPN5
SCHEMBL2686770 0.82 MAPK1 (0.55) NPC1TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL2687352 0.80 NPC1 (0.46) NPC1TP53PTPN2PTPN1PTPN5
SCHEMBL2688110 0.78 NPC1 (0.55) NPC1TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL2687985 0.77 NPC1 (0.49) NPC1TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL2688572 0.77 NPC1 (0.47) NPC1TP53PTGS2PTPN2PTPN1
SCHEMBL3068154 0.77 TSHR (0.66) NPC1TP53PTGS2ALDH1A1SMN1; SMN2
SCHEMBL5832580 0.75 NPC1 (0.79) NPC1TP53PTGS2PTPN2PTPN1
SCHEMBL2688885 0.75 NPC1 (0.50) NPC1TP53KDM4EALDH1A1SMN1; 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
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 NPC1 525/4885TP53 3123/4885HPSE 1880/4885

“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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