SCHEMBL3309978

SCHEMBL3309978

Nc1nc2ccc(-c3ccc4cc(OCc5ccccc5)ccc4c3)cc2s1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.81
PIK3CA P42336 7/20 0.60
PI4KA P42356 7/20 0.60
PI4KB Q9UBF8 7/20 0.60
CYP2D6 P10635 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
KCNH2 Q12809 1/20 0.55
PIK3CD O00329 7/20 0.54
PIK3CG P48736 6/20 0.54
PIK3CB P42338 5/20 0.54
TP53 P04637 2/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL11414056 0.90 CYP3A4 (1.00) CYP3A4PIK3CAPI4KAPI4KBCYP2D6
SCHEMBL28364480 0.85 CYP3A4 (0.81) CYP3A4PIK3CAPI4KAPI4KBCYP2D6
SCHEMBL1847514 0.82 PIK3CA (0.70) CYP3A4PIK3CAPI4KAPI4KBPIK3CD
SCHEMBL1853965 0.81 CYP3A4 (0.62) CYP3A4PIK3CAPI4KAPI4KBPIK3CD
SCHEMBL13412968 0.80 CYP3A4 (0.63) CYP3A4PIK3CAPI4KAPI4KBPIK3CD
SCHEMBL24133664 0.79 CYP3A4 (0.70) CYP3A4CA12CA1CA2CA7
SCHEMBL27812091 0.77 CYP3A4 (0.76) CYP3A4PIK3CAPI4KAPI4KBCYP2D6
SCHEMBL8773471 0.77 PIK3CA (1.00) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL29752153 0.75 CYP3A4 (0.68) CYP3A4PIK3CAPI4KAPI4KBCYP2D6
SCHEMBL16151069 0.75 CYP3A4 (0.72) CYP3A4CYP2D6CA12CA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 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-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology APP, APBA1, PYGB CYP3A4 4593/4885PIK3CA 4138/4885PI4KA 4376/4885

“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.