SCHEMBL394985

SCHEMBL394985

Nc1nc2cccc(CCl)c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ ASH1L Q9NR48 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ PAK4 O96013 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ PIK3CA P42336 3/20 0.33
▸ PIK3CD O00329 2/20 0.33
▸ PIK3CG P48736 2/20 0.33
▸ PI4KA P42356 2/20 0.33
▸ PI4KB Q9UBF8 2/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ TNF P01375 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
SCHEMBL23422372 0.82 ELANE (0.44) DRD2HTR1AHTR2AASH1LKMT2A
SCHEMBL25801523 0.79 DRD2 (0.46) DRD2HTR1AHTR2AASH1LALDH1A1
SCHEMBL2335323 0.79 DRD2 (0.46) DRD2HTR1AHTR2AASH1LALDH1A1
SCHEMBL9676001 0.76 PSMB8 (0.56) ASH1LALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL5260809 0.75 ASH1L (0.46) ASH1LKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2843090 0.74 HTR1A (0.42) DRD2HTR1AHTR2AASH1LKMT2A
SCHEMBL74889 0.73 PDPK1 (0.53) ASH1LKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL25273864 0.72 HSD17B10 (0.43) DRD2HTR1AHTR2AASH1LKMT2A
SCHEMBL30488147 0.72 HSD17B10 (0.43) DRD2HTR1AHTR2AASH1LKMT2A
SCHEMBL289210 0.72 SMN1; SMN2 (0.56) ASH1LALDH1A1MAPTSMN1; SMN2NPC1

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 DRD2 282/4885HTR1A 215/4885HTR2A 221/4885

“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.

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