SCHEMBL5444677

SCHEMBL5444677

Cc1nc(NCCc2ccc(S(C)(=O)=O)cc2)c2cc(C)sc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ PIP4K2C Q8TBX8 2/20 0.48
▸ RXFP1 Q9HBX9 3/20 0.46
▸ GALR3 O60755 2/20 0.43
▸ NR2F2 P24468 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ NPY1R P25929 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ MAPK8 P45983 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CHRM4 P08173 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
SCHEMBL5436032 0.90 HTT (0.67) HTTSMN1; SMN2LMNARXFP1GALR3
SCHEMBL5427207 0.86 GALR3 (0.48) HTTSMN1; SMN2LMNARXFP1GALR3
SCHEMBL5429124 0.84 KDM4E (0.49) HTTSMN1; SMN2LMNARXFP1GALR3
SCHEMBL5438221 0.83 L3MBTL1 (0.48) HTTSMN1; SMN2LMNARXFP1GALR3
SCHEMBL5436049 0.83 NPC1 (0.47) HTTSMN1; SMN2LMNARXFP1GALR3
SCHEMBL5444805 0.83 SMN1; SMN2 (0.47) HTTSMN1; SMN2LMNARXFP1GALR3
SCHEMBL5433559 0.83 NPC1 (0.47) HTTSMN1; SMN2LMNARXFP1GALR3
SCHEMBL5426412 0.83 ALDH1A1 (0.50) HTTSMN1; SMN2LMNAGALR3NR2F2
SCHEMBL5429794 0.81 NPC1 (0.53) HTTSMN1; SMN2LMNARXFP1GALR3
SCHEMBL31045045 0.80 PIP4K2C (0.43) PIP4K2C

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-20070275984-A1 Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 — — 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-20070275984-A1 Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors GRM2, GRIA2, GRM1 HTT 2147/4885SMN1; SMN2 2102/4885LMNA 4777/4885

“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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