SCHEMBL15099537

SCHEMBL15099537

COc1ccc(-c2ccc(-c3ccc(C=C(C#N)C#N)s3)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.56
MAPT P10636 5/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
APEX1 P27695 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A1 P04798 1/20 0.39

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
SCHEMBL20718538 0.93 MAPT (0.56) APPMAPTKDM4EALDH1A1HPGD
SCHEMBL28643094 0.90 MAPT (0.52) APPMAPTKDM4EALDH1A1HPGD
SCHEMBL15096136 0.84 MAPT (0.47) APPMAPTKDM4EALDH1A1NPSR1
SCHEMBL2407500 0.82 APP (0.53) APPMAPTKDM4EALDH1A1NPSR1
SCHEMBL15120762 0.82 MAPT (0.46) APPMAPTKDM4EALDH1A1HPGD
SCHEMBL20621189 0.82 MAPT (0.46) APPMAPTKDM4EALDH1A1HPGD
SCHEMBL14930761 0.82 MAPT (0.46) APPMAPTKDM4EALDH1A1HPGD
SCHEMBL7011753 0.81 MAPT (0.55) APPMAPTKDM4EALDH1A1HPGD
SCHEMBL15859153 0.80 MAPT (0.62) APPMAPTKDM4EALDH1A1HPGD
SCHEMBL14730340 0.80 MAPT (0.62) APPMAPTKDM4EALDH1A1HPGD

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-20210017262-A1 BLOOD-BRAIN BARRIER PERMEABLE PEPTIDE COMPOSITIONS ICB INT INC (US) 2021-01-21 US disclosed
US-20140193834-A1 BLOOD-BRAIN BARRIER PERMEABLE PEPTIDE COMPOSITIONS ICB INTERNATIONAL, INC. (US) 2014-07-10 US disclosed
US-20130177568-A1 BLOOD-BRAIN BARRIER PERMEABLE PEPTIDE COMPOSITIONS ICB INTERNATIONAL, INC. (US) 2013-07-11 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 (2 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-20210017262-A1 BLOOD-BRAIN BARRIER PERMEABLE PEPTIDE COMPOSITIONS FCGR2A, VSIR, FCGR3B APP 4/4885MAPT 28/4885KDM4E 4327/4885
US-20130177568-A1 BLOOD-BRAIN BARRIER PERMEABLE PEPTIDE COMPOSITIONS FCGR2A, VSIR, FCGR3B APP 4/4885MAPT 28/4885KDM4E 4327/4885

“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.