SCHEMBL13266192

SCHEMBL13266192

CCC(C)(C)c1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(OC(C)c5ccc(S(=O)(=O)c6ccc(C)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HSD11B1 P28845 3/20 0.37
▸ CNR1 P21554 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ CASP1 P29466 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ BCHE P06276 2/20 0.32
▸ ACHE P22303 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32

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
SCHEMBL10163681 0.93 HTT (0.47) HTTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13266198 0.90 HTT (0.44) HTTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL18386646 0.89 CNR1 (0.41) HTTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2754674 0.89 HTT (0.40) HTTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL11938362 0.86 NPC1 (0.44) HTTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13266191 0.86 NPC1 (0.41) HTTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL12113383 0.84 HTT (0.43) HTTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13668610 0.83 HTT (0.44) HTTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13953894 0.82 HTT (0.47) HTTSMN1; SMN2TDP1L3MBTL1HSD11B1
SCHEMBL10163908 0.81 HTT (0.44) HTTSMN1; SMN2TDP1L3MBTL1HSD11B1

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 4123/4885NPC1 1945/4885

“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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