SCHEMBL394277

SCHEMBL394277

C#CCCn1ccc(-c2ccccc2C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
IDO1 P14902 1/20 0.34
METAP2 P50579 1/20 0.34
TLR8 Q9NR97 1/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
ADRA1A P35348 1/20 0.33
CYP1A2 P05177 4/20 0.33

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
SCHEMBL105209 0.78 KMT2A (0.50) KMT2AHDAC8HDAC6NPC1SMN1; SMN2
SCHEMBL394278 0.74 NPC1 (0.44) KMT2AIDO1METAP2TLR8HDAC8
SCHEMBL21013892 0.74 GRM2 (0.44) KMT2AIDO1METAP2TLR8HDAC8
SCHEMBL103375 0.73 CREBBP (0.47) JAK2JAK1TYK2JAK3
SCHEMBL16574032 0.73 KMT2A (0.55) KMT2AIDO1METAP2TLR8MEN1
SCHEMBL29767299 0.73 KMT2A (0.55) KMT2AIDO1METAP2TLR8MEN1
SCHEMBL395312 0.68 P2RX7 (0.40) NPC1SMN1; SMN2ADRA1ACYP1A2CYP2D6
SCHEMBL28067031 0.67 IDO1 (0.42) KMT2AIDO1METAP2MEN1NPC1
SCHEMBL27009244 0.66 IDO1 (0.41) KMT2AIDO1METAP2MEN1NPC1
SCHEMBL26474012 0.65 DYRK1A (0.43) KMT2AIDO1METAP2MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
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 1833/4885IDO1 2868/4885METAP2 1779/4885

“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.