SCHEMBL4548528

SCHEMBL4548528

NCc1ccc(NC(=O)CBr)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.48
KLKB1 P03952 5/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PLAU P00749 2/20 0.46
GAA P10253 1/20 0.46
PLG P00747 7/20 0.45
KLK1 P06870 6/20 0.45
KLK6 Q92876 6/20 0.45
POLB P06746 1/20 0.44
PLAT P00750 1/20 0.44
PRSS1 P07477 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NCOR2 Q9Y618 1/20 0.44

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
SCHEMBL15267699 0.85 KMT2A (0.60) MEN1KMT2AGAAPOLBHDAC3
SCHEMBL8667875 0.82 KMT2A (0.48) MEN1KMT2AGAAPOLBHDAC3
SCHEMBL4787002 0.82 KMT2A (0.51) KLKB1MEN1KMT2APLAUGAA
SCHEMBL4548599 0.81 TPSAB1 (0.48) TPSAB1KLKB1PLAUGAAPLG
SCHEMBL1189878 0.81 CA12 (0.59) MEN1KMT2AGAAPOLB
SCHEMBL5362495 0.81 HDAC3 (0.60) MEN1KMT2AHDAC3HDAC6
SCHEMBL6932064 0.80 MAPT (0.59) MEN1KMT2AGAAPOLBHDAC3
SCHEMBL28779123 0.79 POLB (0.63) TPSAB1KLKB1MEN1KMT2APLG
SCHEMBL21765683 0.79 NPC1 (0.50) TPSAB1MEN1KMT2AGAAPOLB
SCHEMBL8689095 0.79 MEN1 (0.62) MEN1KMT2AGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168656-B2 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY (US) 2012-05-01 US disclosed
US-8168656-B2 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY (US) 2012-05-01 US disclosed
US-20090118290-A1 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY 2009-05-07 US disclosed
US-20090118290-A1 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY 2009-05-07 US disclosed
US-7491744-B2 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY (US) 2009-02-17 US disclosed
US-7491744-B2 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY (US) 2009-02-17 US disclosed
WO-2005112921-A2 INDOLEACETIC ACID AND INDENACETIC ACID DERIVATIVES AS THERAPEUTIC AGENTS WITH REDUCED GASTROINTESTINAL TOXICITY VANDERBILT UNIVERSITY (US) 2005-12-01 WO 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-20090118290-A1 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity AANAT, FABP2, SI TPSAB1 66/4885KLKB1 4349/4885MEN1 4593/4885

“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.