SCHEMBL4548571

SCHEMBL4548571

O=C(O)Cc1cn(Cc2ccc(Br)cc2)c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
LMNA P02545 2/20 0.67
FNTA P49354 1/20 0.58
FNTB P49356 1/20 0.58
HDAC6 Q9UBN7 5/20 0.56
HDAC1 Q13547 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
CDC25A P30304 1/20 0.54
HDAC10 Q969S8 4/20 0.53
CNR2 P34972 1/20 0.53
POLB P06746 2/20 0.52
PLK1 P53350 3/20 0.51
USP2 O75604 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC3 O15379 2/20 0.51
HDAC2 Q92769 2/20 0.51
NCOR2 Q9Y618 2/20 0.51
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL27794779 0.91 CNR2 (0.58) ALDH1A1LMNAFNTAFNTBHDAC6
SCHEMBL2051630 0.90 ALDH1A1 (0.80) ALDH1A1LMNAFNTAFNTBHDAC6
SCHEMBL7698481 0.88 LMNA (0.77) ALDH1A1LMNAHDAC6HDAC1HDAC8
SCHEMBL1233547 0.86 ALDH1A1 (0.67) ALDH1A1LMNAHDAC6HDAC1HDAC8
SCHEMBL7679351 0.85 ALDH1A1 (0.62) ALDH1A1LMNA
SCHEMBL16222842 0.84 POLB (0.58) LMNAFNTAFNTBHDAC6HDAC1
SCHEMBL13931026 0.84 ALDH1A1 (0.65) ALDH1A1LMNAHDAC6HDAC1HDAC8
SCHEMBL8176472 0.84 ALDH1A1 (0.55) ALDH1A1LMNACNR2
SCHEMBL7692305 0.83 CHRM1 (0.65) ALDH1A1LMNAHDAC6CDC25AHDAC10
SCHEMBL4262388 0.83 ALDH1A1 (0.67) ALDH1A1LMNAFNTAFNTBHDAC6

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 8 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
WO-2002020478-A1 N-BENZYLINDOLE-3-ACETIC ACID DERIVATIVES FOR USE IN THE TREATMENT OF DRUG RESISTAN CANCER DUBLIN CITY UNIVERSITY (IE) 2002-03-14 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 ALDH1A1 462/4885LMNA 2389/4885FNTA 1009/4885

“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.