SCHEMBL2674378

SCHEMBL2674378

C=CC(O)C1=CCCc2ccc(Br)cc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
CARM1 Q86X55 2/20 0.30
METAP1 P53582 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL2675846 0.71 TDP1 (0.39) TDP1L3MBTL1PARP1PARP10METAP1
SCHEMBL2674737 0.71 PARP10 (0.36) PARP10
SCHEMBL28569205 0.67 PARP10 (0.43) TDP1L3MBTL1PARP1PARP10METAP1
SCHEMBL9483990 0.67 PARP10 (0.43) TDP1L3MBTL1PARP1PARP10METAP1
SCHEMBL27710326 0.67 PARP10 (0.44) TDP1L3MBTL1PARP1PARP10METAP1
SCHEMBL29009009 0.67 CHEK2 (0.33) METAP1
SCHEMBL598138 0.65 TDP1 (0.61) TDP1L3MBTL1PARP1PARP10METAP1
SCHEMBL769170 0.64 PARP10 (0.40) TDP1L3MBTL1PARP1PARP10METAP1
SCHEMBL6097069 0.64 PARP10 (0.40) TDP1L3MBTL1PARP1PARP10METAP1
Acetic Acid SCHEMBL9127778 0.64 TDP1 (0.41) TDP1L3MBTL1PARP1PARP10

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-8173696-B2 Inhibitors of cysteine proteases and methods of use thereof BAYLOR UNIVERSITY (US) 2012-05-08 US disclosed
US-20090076076-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF BAYLOR UNIVERSITY (US) 2009-03-19 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-20090076076-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSB, CTSS, CTSZ TDP1 3302/4885L3MBTL1 340/4885PARP1 3368/4885

“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.