SCHEMBL2688717

SCHEMBL2688717

COC(=O)c1ccc(Cn2c(C)nc3cc(-c4nc5ccccc5o4)ccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.62
▸ MAPT P10636 5/20 0.62
▸ RAB9A P51151 4/20 0.62
▸ KDM4E B2RXH2 3/20 0.62
▸ NPC1 O15118 3/20 0.62
▸ HPGD P15428 3/20 0.62
▸ HSD17B10 Q99714 3/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ DRD2 P14416 7/20 0.55
▸ TBXA2R P21731 6/20 0.55
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TP53 P04637 2/20 0.48

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
SCHEMBL2687919 0.91 KDM4E (0.54) SMN1; SMN2MAPTRAB9AKDM4ENPC1
SCHEMBL2688317 0.90 HDAC1 (0.50) SMN1; SMN2MAPTRAB9AKDM4ENPC1
SCHEMBL2687478 0.85 TNF (0.58) MAPTRAB9AKDM4EALDH1A1
SCHEMBL10271368 0.83 GALR3 (0.45) SMN1; SMN2RAB9AKDM4ENPC1HPGD
SCHEMBL2689288 0.82 HPSE (0.46) SMN1; SMN2MAPTRAB9AKDM4ENPC1
SCHEMBL3668391 0.81 HDAC1 (0.73) MAPTRAB9ADRD2TBXA2RHDAC1
SCHEMBL10270865 0.79 TP53 (0.51) SMN1; SMN2MAPTRAB9AKDM4ENPC1
SCHEMBL2687137 0.79 KDM4E (0.46) SMN1; SMN2MAPTRAB9AKDM4ENPC1
SCHEMBL3372495 0.78 MAPT (1.00) SMN1; SMN2MAPTRAB9AKDM4ENPC1
SCHEMBL2687383 0.78 KDM4E (0.55) SMN1; SMN2MAPTRAB9AKDM4ENPC1

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 9 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
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 SMN1; SMN2 157/4885MAPT 2988/4885RAB9A 2914/4885

“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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