SCHEMBL17735337

SCHEMBL17735337

c1ccc(-c2cccc(-c3n[nH]c(-c4ccccc4)n3)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.75
NR1H3 Q13133 7/20 0.75
NPC1 O15118 4/20 0.73
RAB9A P51151 4/20 0.73
SMN1; SMN2 Q16637 4/20 0.73
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
MAPT P10636 2/20 0.73
ALDH1A1 P00352 2/20 0.73
HPGD P15428 2/20 0.73
ATAD2 Q6PL18 1/20 0.73
TSHR P16473 1/20 0.73
HTT P42858 1/20 0.73
LMNA P02545 2/20 0.62
HPGDS O60760 1/20 0.62
DGAT1 O75907 1/20 0.62
CYP1A2 P05177 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GP6 Q9HCN6 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL17280045 0.96 NR1H2 (0.75) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL17117704 0.96 NR1H2 (0.69) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL17280046 0.96 NR1H2 (0.69) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL17570207 0.96 NR1H2 (0.81) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL17516081 0.93 NR1H2 (0.75) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL17279760 0.91 NR1H2 (0.78) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL17279769 0.89 NR1H2 (0.75) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL17279682 0.89 NR1H2 (0.81) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL23627138 0.87 NR1H2 (0.78) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL17570202 0.87 NR1H2 (0.78) NR1H2NR1H3NPC1RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969726-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMS) and uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-05-15 US disclosed
WO-2017200210-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-11-23 WO 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-2016072780-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-05-12 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 NR1H2 637/4885NR1H3 825/4885NPC1 2618/4885

“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.