SCHEMBL1268416

SCHEMBL1268416

O=C(NCc1ccccn1)Nc1cc(I)ccn1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ RAB9A P51151 5/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ KMT2A Q03164 6/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ GLA P06280 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ TSHR P16473 1/20 0.54

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
SCHEMBL1269265 0.84 HDAC1 (0.51) HTT
SCHEMBL1269221 0.83 SMN1; SMN2 (0.63) SMN1; SMN2ALOX15RAB9ANPC1KMT2A
SCHEMBL1269667 0.82 SMN1; SMN2 (0.62) SMN1; SMN2ALOX15RAB9ANPC1KMT2A
SCHEMBL1269283 0.80 POLB (0.62) SMN1; SMN2ALOX15RAB9ANPC1KMT2A
SCHEMBL29460273 0.78 SMN1; SMN2 (0.79) SMN1; SMN2ALOX15RAB9ANPC1KMT2A
SCHEMBL21065524 0.78 SMN1; SMN2 (0.79) SMN1; SMN2ALOX15RAB9ANPC1KMT2A
SCHEMBL26686375 0.77 JAK2 (0.57) SMN1; SMN2KMT2AHTT
SCHEMBL1269305 0.77 RAB9A (0.54) SMN1; SMN2ALOX15RAB9ANPC1KMT2A
SCHEMBL11618998 0.76 RAB9A (1.00) SMN1; SMN2ALOX15RAB9ANPC1KMT2A
SCHEMBL26686525 0.75 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1KMT2AMEN1

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-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 — — 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-20110039893-A1 GSK-3BETA INHIBITOR GSK3B, GSK3A, GSKIP SMN1; SMN2 865/4885ALOX15 4220/4885RAB9A 2254/4885

“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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