SCHEMBL4390324

SCHEMBL4390324

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.37
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
KDM6B O15054 5/20 0.34
KDM4C Q9H3R0 4/20 0.34
KDM4D Q6B0I6 3/20 0.34
KDM4E B2RXH2 1/20 0.34
KDM4A O75164 1/20 0.34
TBXAS1 P24557 3/20 0.33
ALKBH2 Q6NS38 1/20 0.33
ALKBH3 Q96Q83 1/20 0.33
FTO Q9C0B1 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
KDM3A Q9Y4C1 1/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 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
SCHEMBL4387063 0.76 CCNC (0.37) LRRK2LMNAKMT2ATDP1BCHE
SCHEMBL4262346 0.76 CCNC (0.37) LRRK2LMNAKMT2ATDP1BCHE
SCHEMBL1569020 0.76 CCNC (0.37) LRRK2LMNAKMT2ATDP1BCHE
SCHEMBL4266285 0.74 LMNA (0.36) LRRK2LMNAKMT2ATDP1BCHE
SCHEMBL1569018 0.73 BCHE (0.35) LRRK2LMNAKMT2ATDP1BCHE
SCHEMBL4390326 0.73 POLB (0.47) LRRK2LMNAKMT2ATDP1BCHE
SCHEMBL1568978 0.71 KDM6B (0.34) LRRK2LMNAKMT2ATDP1BCHE
SCHEMBL7297836 0.70 ALDH1A1 (0.50) LMNAKMT2ATDP1HPGDALDH1A1
SCHEMBL2849986 0.67 ALDH1A1 (0.42) LMNAKMT2ATDP1KDM4EHPGD
Pyrazine SCHEMBL9234998 0.64 POLB (0.45) LMNAKMT2ATDP1KDM4EHPGD

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 LRRK2 4269/4885LMNA 1655/4885KMT2A 259/4885

“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.