SCHEMBL13201849

SCHEMBL13201849

CCOc1cc(OC)c2ccnc(OC)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SYK P43405 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
USP2 O75604 3/20 0.36
CYP3A4 P08684 4/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 3/20 0.35
TRPA1 O75762 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
RPS6KA5 O75582 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 3/20 0.33

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
SCHEMBL13219446 0.84 RPS6KA5 (0.34) MEN1KMT2ASYKSMN1; SMN2HPGD
SCHEMBL13201932 0.79 KDM4E (0.47) SMN1; SMN2HPGDKDM4EALDH1A1MAPT
SCHEMBL13201608 0.78 CRHR1 (0.45) SYKSMN1; SMN2KDM4EMAPTCYP3A4
SCHEMBL8140632 0.78 USP2 (0.41) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL8154305 0.78 KDM4E (0.39) MEN1KMT2ASMN1; SMN2HPGDKDM4E
SCHEMBL8276188 0.77 ALDH1A1 (0.37) MEN1KMT2ASMN1; SMN2HPGDKDM4E
SCHEMBL8278961 0.77 LMNA (0.39) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL8142999 0.77 MAPT (0.49) MEN1KMT2ASMN1; SMN2HPGDKDM4E
SCHEMBL8277886 0.77 KDM4E (0.39) MEN1KMT2ASYKSMN1; SMN2HPGD
SCHEMBL13763635 0.77 MAPT (0.39) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767818-B2 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-03 US disclosed
US-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 US disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 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-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs DPP3, CTSC, ANPEP MEN1 3216/4885KMT2A 3349/4885SYK 3776/4885

“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.