SCHEMBL17348262

SCHEMBL17348262

O=C(C#Cc1ccccc1)c1cccc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.60
ALDH1A1 P00352 5/20 0.60
NPSR1 Q6W5P4 4/20 0.60
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MITF O75030 1/20 0.60
VCP P55072 1/20 0.54
OPRK1 P41145 2/20 0.52
S1PR2 O95136 1/20 0.52
PARP1 P09874 1/20 0.49
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
AGTR1 P30556 1/20 0.45
PAX8 Q06710 1/20 0.45
TLR9 Q9NR96 1/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 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
SCHEMBL9124703 0.88 HSP90AA1 (0.69) HSP90AA1ALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL978641 0.82 VCP (0.75) HSP90AA1ALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL9194059 0.81 VCP (0.69) HSP90AA1ALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL28542054 0.81 VCP (0.59) HSP90AA1ALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL28863134 0.81 PARP1 (0.53) ALDH1A1NPSR1MAPTSMN1; SMN2MEN1
SCHEMBL28574185 0.80 HSP90AA1 (0.60) HSP90AA1ALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL30114847 0.80 VCP (0.68) HSP90AA1ALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL28972852 0.80 MEN1 (0.60) HSP90AA1ALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL5592874 0.80 VCP (0.68) HSP90AA1ALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL29039348 0.80 C1S (0.41) HSP90AA1ALDH1A1NPSR1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154954-B1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF SANFORD BURNHAM MED RES INST (US) 2022-02-09 EP disclosed
US-9969726-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMS) and uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-05-15 US disclosed
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-08-03 US disclosed
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-08-03 US disclosed
WO-2015191630-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-17 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-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof GRM3, GRM2, GRM1 HSP90AA1 3901/4885ALDH1A1 4541/4885NPSR1 144/4885

“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.