SCHEMBL777417

SCHEMBL777417

[C-]#[N+]c1cc2c(cc1Br)CC(=O)N2C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
PKM P14618 4/20 0.36
TRIM24 O15164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
BMPR1B O00238 4/20 0.33
BMPR1A P36894 4/20 0.33
ACVRL1 P37023 4/20 0.33
ACVR1 Q04771 4/20 0.33
LMNA P02545 4/20 0.33
POLB P06746 2/20 0.33
SMYD3 Q9H7B4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TGFBR1 P36897 2/20 0.32
OPRK1 P41145 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL16320915 0.79 PKM (0.41) IDO1PKMTRIM24ALDH1A1GAA
SCHEMBL22667210 0.76 BMPR1B (0.42) IDO1PKMTRIM24ALDH1A1GAA
SCHEMBL777406 0.74 TRIM24 (0.37) IDO1PKMTRIM24ALDH1A1GAA
SCHEMBL31457648 0.73 GAA (0.43) IDO1TRIM24ALDH1A1GAABMPR1B
SCHEMBL26654727 0.73 GAA (0.43) IDO1TRIM24ALDH1A1GAABMPR1B
SCHEMBL25036246 0.72 BMPR1B (0.39) IDO1PKMTRIM24ALDH1A1GAA
SCHEMBL769227 0.72 TRIM24 (0.38) IDO1PKMTRIM24ALDH1A1GAA
SCHEMBL777575 0.71 CYP11B2 (0.55) BMPR1BBMPR1AACVRL1ACVR1LMNA
SCHEMBL11524413 0.71 PKM (0.44) IDO1PKMTRIM24ALDH1A1GAA
SCHEMBL23577690 0.69 LCK (0.40) IDO1PKMTRIM24ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 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 (2 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-20140275175-A1 ORGANIC COMPOUNDS CYP11B2, CYP11B1, SLCO1B1 IDO1 958/4885PKM 571/4885TRIM24 3610/4885
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 CYP11B1, HSD11B1, CYP11B2 IDO1 88/4885PKM 656/4885TRIM24 3232/4885

“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.