SCHEMBL4393130

SCHEMBL4393130

O=C(N/C(=C/c1cnccc1Br)C(=O)O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
P2RX7 Q99572 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
NAMPT P43490 2/20 0.39
ROCK2 O75116 1/20 0.38
TGM2 P21980 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4393129 1.00 POLB (0.47) POLBLMNAKMT2ATDP1P2RX7
SCHEMBL4393133 1.00 POLB (0.47) POLBLMNAKMT2ATDP1P2RX7
SCHEMBL4394887 0.91 POLB (0.47) POLBLMNAKMT2ATDP1P2RX7
SCHEMBL4394884 0.91 POLB (0.47) POLBLMNAKMT2ATDP1P2RX7
SCHEMBL4387066 0.91 POLB (0.47) POLBLMNAKMT2ATDP1P2RX7
SCHEMBL4804689 0.79 POLB (0.43) POLBTRPV1NAMPTNPC1RAB9A
SCHEMBL4804680 0.79 POLB (0.43) POLBTRPV1NAMPTNPC1RAB9A
SCHEMBL3343995 0.76 CA12 (0.50) POLBLMNAKMT2ATDP1CA12
SCHEMBL3343985 0.76 CA12 (0.50) POLBLMNAKMT2ATDP1CA12
SCHEMBL3343992 0.76 CA12 (0.50) POLBLMNAKMT2ATDP1CA12

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 799/4885LMNA 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.