SCHEMBL13266190

SCHEMBL13266190

CCC(Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(=O)c4ccc(C)cc4)cc3)cc2)cc1)c1ccc(C(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ SLC6A9 P48067 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GFER P55789 1/20 0.42
▸ MAPT P10636 4/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 4/20 0.39
▸ GAA P10253 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39

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
SCHEMBL13082579 1.00 HTT (0.48) HTTSMN1; SMN2SLC6A9L3MBTL1TDP1
SCHEMBL13266187 0.91 HTT (0.56) HTTSMN1; SMN2SLC6A9L3MBTL1TDP1
SCHEMBL13266239 0.89 HPGD (0.43) SLC6A9L3MBTL1MAPTALDH1A1MAPK1
SCHEMBL13266243 0.88 HTT (0.52) HTTSMN1; SMN2SLC6A9L3MBTL1TDP1
SCHEMBL14036502 0.87 GAA (0.50) HTTSMN1; SMN2SLC6A9L3MBTL1TDP1
SCHEMBL13266247 0.83 HTT (0.50) HTTSMN1; SMN2L3MBTL1TDP1NPSR1
SCHEMBL13668609 0.83 HTT (0.48) HTTSMN1; SMN2SLC6A9L3MBTL1TDP1
SCHEMBL13668721 0.83 HTT (0.48) HTTSMN1; SMN2L3MBTL1TDP1MAPT
SCHEMBL822651 0.83 HTT (0.67) HTTSMN1; SMN2L3MBTL1TDP1GFER
SCHEMBL12769554 0.83 HTT (0.67) HTTSMN1; SMN2L3MBTL1TDP1GFER

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-8293905-B2 Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 — — US disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 — — 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-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 HTT 2006/4885SMN1; SMN2 4123/4885SLC6A9 765/4885

“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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