SCHEMBL4387063

SCHEMBL4387063

O=CN(OCc1ccccc1)/C(=C/c1ccncc1Br)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
LMNA P02545 3/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TBXAS1 P24557 3/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KDM6B O15054 1/20 0.32
ALKBH2 Q6NS38 1/20 0.32
ALKBH3 Q96Q83 1/20 0.32
FTO Q9C0B1 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
KDM3A Q9Y4C1 1/20 0.32
LRRK2 Q5S007 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4262346 1.00 CCNC (0.37) CCNCCDK8LMNAKMT2ATDP1
SCHEMBL1569020 1.00 CCNC (0.37) CCNCCDK8LMNAKMT2ATDP1
SCHEMBL4266285 0.91 LMNA (0.36) LMNAKMT2ATDP1TBXAS1BCHE
SCHEMBL1569018 0.89 BCHE (0.35) CCNCCDK8LMNAKMT2ATDP1
SCHEMBL1568978 0.81 KDM6B (0.34) LMNAKMT2ATDP1TBXAS1BCHE
SCHEMBL4388299 0.77 CYP3A4 (0.44) LMNAKMT2ATDP1MAPK1MEN1
SCHEMBL4390324 0.76 LRRK2 (0.37) LMNAKMT2ATDP1TBXAS1BCHE
SCHEMBL2849986 0.74 ALDH1A1 (0.42) LMNAKMT2ATDP1MAPK1MEN1
SCHEMBL4394884 0.72 POLB (0.47) CCNCCDK8LMNAKMT2ATDP1
SCHEMBL4394887 0.72 POLB (0.47) CCNCCDK8LMNAKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268854-B2 Aza-beta-carbolines and methods of using same THE UWM RESEARCH FOUNDATION, INC. (US) 2012-09-18 US disclosed
US-20090306121-A1 AZA-BETA-CARBOLINES AND METHODS OF USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-10 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-20090306121-A1 AZA-BETA-CARBOLINES AND METHODS OF USING SAME CHRNA7, CHRNA2, CHRNA5 CCNC 1812/4885CDK8 2450/4885LMNA 1655/4885

“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.