SCHEMBL4191652

SCHEMBL4191652

O=C(CCC#Cc1ccccn1)Nc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
G6PD P11413 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL102995 0.85 TSHR (0.52) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL103037 0.82 TP53 (0.53) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL5261892 0.82 HDAC4 (0.53) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL104367 0.80 GRM4 (0.54) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL102005 0.79 POLB (0.53) KMT2AMEN1ALDH1A1RAB9AKDM4E
SCHEMBL101180 0.78 GRM5 (0.53) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL103419 0.77 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL4193713 0.76 GRM4 (0.50) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL103836 0.75 FFAR1 (0.58) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL102396 0.75 PTGDR2 (0.42) KMT2AMEN1ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 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 (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-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 KMT2A 1833/4885MEN1 3565/4885ALDH1A1 2496/4885

“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.