SCHEMBL4390326

SCHEMBL4390326

CC(=C(NC(=O)OCc1ccccc1)C(=O)O)c1ccncc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
KCNA5 P22460 2/20 0.42
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
P2RX7 Q99572 1/20 0.41
LRRK2 Q5S007 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
NAMPT P43490 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 1/20 0.39
ROCK2 O75116 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
KDM4D Q6B0I6 1/20 0.38

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
SCHEMBL4387066 0.75 POLB (0.47) POLBLMNAKMT2ATDP1P2RX7
SCHEMBL4394884 0.75 POLB (0.47) POLBLMNAKMT2ATDP1P2RX7
SCHEMBL4394887 0.75 POLB (0.47) POLBLMNAKMT2ATDP1P2RX7
SCHEMBL5893116 0.75 RAB9A (0.44) POLBLMNAKMT2ATDP1ALDH1A1
SCHEMBL4846135 0.74 LRRK2 (0.53) POLBLMNALRRK2ALDH1A1KDM4E
SCHEMBL4846126 0.74 LRRK2 (0.53) POLBLMNALRRK2ALDH1A1KDM4E
SCHEMBL4393129 0.73 POLB (0.47) POLBLMNAKMT2ATDP1P2RX7
SCHEMBL4393130 0.73 POLB (0.47) POLBLMNAKMT2ATDP1P2RX7
SCHEMBL4393133 0.73 POLB (0.47) POLBLMNAKMT2ATDP1P2RX7
SCHEMBL3050407 0.73 MRGPRX4 (0.43) POLBLMNAKMT2AP2RX7ALDH1A1

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 POLB 799/4885KCNA5 943/4885LMNA 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.