SCHEMBL3491891

SCHEMBL3491891

Cc1cccc(-c2nnc(-c3ccc4ncsc4c3)o2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.57
▸ SMN1; SMN2 Q16637 6/20 0.57
▸ NPC1 O15118 5/20 0.57
▸ RAB9A P51151 5/20 0.57
▸ TSHR P16473 2/20 0.57
▸ ALDH1A1 P00352 3/20 0.56
▸ POLB P06746 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ APP P05067 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ MAPT P10636 4/20 0.47
▸ HTT P42858 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46

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
SCHEMBL3493900 0.86 APP (0.52) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL12170961 0.80 NPC1 (0.58) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL3493309 0.79 APP (0.51) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL11674120 0.79 SMN1; SMN2 (0.89) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL18041549 0.78 TGFBR1 (0.44) DYRK1A
SCHEMBL3492630 0.77 APP (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL13882293 0.77 SMN1; SMN2 (0.85) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL12634931 0.76 NPC1 (0.83) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL18716612 0.76 APP (0.48) SMN1; SMN2NPC1RAB9AALDH1A1APP
SCHEMBL16675211 0.76 SMN1; SMN2 (0.82) HPGDSMN1; SMN2NPC1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 — — US claimed
US-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 — — US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 — — 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP HPGD 1023/4885SMN1; SMN2 1036/4885NPC1 1571/4885

“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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