SCHEMBL396380

SCHEMBL396380

O=c1ccc(Br)cn1C#CCCc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
HRH1 P35367 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DAO P14920 1/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
AGTR1 P30556 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CREBBP Q92793 1/20 0.34
TP53 P04637 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
GRM5 P41594 1/20 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
SCHEMBL396381 0.70 KMT2A (0.38) HSD17B10KMT2AALDH1A1MEN1PKM
SCHEMBL349370 0.65 HRH1 (0.55) HSD17B10HRH1LMNATDP1ALDH1A1
SCHEMBL104098 0.64 GRM5 (0.40) ALDH1A1KCNH2GRM5
SCHEMBL1882967 0.62 SMN1; SMN2 (0.47) HSD17B10TDP1KMT2AALDH1A1MEN1
SCHEMBL29485678 0.62 HRH1 (0.73) HSD17B10HRH1LMNATDP1ALDH1A1
SCHEMBL230753 0.62 HRH1 (0.73) HSD17B10HRH1LMNATDP1ALDH1A1
SCHEMBL4819213 0.62 HRH1 (0.55) HSD17B10HRH1LMNATDP1ALDH1A1
SCHEMBL2963211 0.62 HRH1 (0.55) HSD17B10HRH1LMNATDP1ALDH1A1
SCHEMBL27295191 0.62 HRH1 (0.55) HSD17B10HRH1LMNATDP1ALDH1A1
SCHEMBL38655688 0.62 HRH1 (0.55) HSD17B10HRH1LMNATDP1ALDH1A1

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 HSD17B10 2127/4885HRH1 424/4885L3MBTL1 4070/4885

“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.