SCHEMBL397640

SCHEMBL397640

C#CCCc1nc(Cc2ccccc2OC)no1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
MAPK1 P28482 5/20 0.57
TDP1 Q9NUW8 2/20 0.57
LMNA P02545 4/20 0.50
L3MBTL1 Q9Y468 5/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.46
HSD17B10 Q99714 1/20 0.44
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL104161 0.83 MAPK1 (0.46) TSHRMAPK1TDP1LMNAL3MBTL1
SCHEMBL102408 0.81 ALDH1A1 (0.48) LMNAALDH1A1MEN1KMT2APOLB
SCHEMBL104391 0.80 ALDH1A1 (0.56) TSHRLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL101816 0.77 MAPK1 (0.51) TSHRMAPK1TDP1LMNAL3MBTL1
SCHEMBL102809 0.77 MAPT (0.57) TSHRMAPK1TDP1LMNAL3MBTL1
SCHEMBL102736 0.76 PKM (0.52) TSHRMAPK1LMNAL3MBTL1KDM4E
SCHEMBL101986 0.72 L3MBTL1 (0.41) TSHRMAPK1TDP1L3MBTL1KDM4E
SCHEMBL13247793 0.72 TSHR (0.53) TSHRMAPK1TDP1LMNAL3MBTL1
SCHEMBL101763 0.69 ATM (0.45) TSHRMAPK1LMNAL3MBTL1ALDH1A1
SCHEMBL101993 0.69 SIRT2 (0.65) TSHRMAPK1TDP1LMNAL3MBTL1

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 TSHR 454/4885MAPK1 1758/4885TDP1 3469/4885

“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.