SCHEMBL2687597

SCHEMBL2687597

COC(=O)c1ccc(-c2nc3cc(-c4nc5cc(Cl)ccc5o4)ccc3n2C2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.47
MAPT P10636 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
RAB9A P51151 5/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 5/20 0.43
HPGD P15428 5/20 0.43
NPC1 O15118 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PARP3 Q9Y6F1 1/20 0.43
POLB P06746 1/20 0.43
CASP3 P42574 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
SCHEMBL2687370 0.92 RPS6KB1 (0.45) RPS6KB1MAPTSMN1; SMN2RAB9ATP53
SCHEMBL10219866 0.90 HPSE (0.45) MAPTSMN1; SMN2RAB9ATP53THRB
SCHEMBL2687130 0.87 CASP3 (0.61) RPS6KB1MAPTSMN1; SMN2RAB9ATP53
SCHEMBL2689825 0.87 PARP3 (0.42) MAPTSMN1; SMN2RAB9ATP53THRB
SCHEMBL2688345 0.85 RPS6KB1 (0.51) RPS6KB1MAPTSMN1; SMN2RAB9ATP53
SCHEMBL10219827 0.84 HPSE (0.49) MAPTSMN1; SMN2RAB9ATP53THRB
SCHEMBL2688580 0.83 KDM4E (0.54) MAPTSMN1; SMN2RAB9ATP53THRB
SCHEMBL2686940 0.82 KDM4E (0.51) MAPTSMN1; SMN2RAB9ATHRBLMNA
SCHEMBL2686059 0.80 OPRM1 (0.43) MAPTSMN1; SMN2RAB9AKDM4EHPGD
SCHEMBL2687516 0.79 CASP3 (0.48) MAPTSMN1; SMN2RAB9ATP53THRB

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 RPS6KB1 1919/4885MAPT 2988/4885SMN1; SMN2 157/4885

“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.