SCHEMBL6794489

SCHEMBL6794489

Cc1cccc(CC(=O)c2ccc3c(c2)OCCO3)n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
PKM P14618 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CTNNB1 P35222 10/20 0.57
WNT3A P56704 8/20 0.57
ATM Q13315 1/20 0.56
HPGD P15428 1/20 0.53
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.50
THRB P10828 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL4032725 0.92 KDM4E (0.56) NPC1RAB9APKMSMN1; SMN2KDM4E
SCHEMBL6794849 0.88 CTNNB1 (0.48) NPC1RAB9APKMSMN1; SMN2KDM4E
SCHEMBL21917869 0.83 RAB9A (0.54) NPC1RAB9APKMSMN1; SMN2KDM4E
SCHEMBL5695788 0.79 CTNNB1 (0.67) NPC1RAB9APKMSMN1; SMN2KDM4E
SCHEMBL22394792 0.77 CTNNB1 (0.58) NPC1RAB9APKMSMN1; SMN2KDM4E
SCHEMBL3425193 0.74 NPC1 (1.00) NPC1RAB9APKMSMN1; SMN2KDM4E
SCHEMBL22394673 0.74 SMN1; SMN2 (0.61) NPC1RAB9APKMSMN1; SMN2KDM4E
SCHEMBL29858593 0.74 NPC1 (1.00) NPC1RAB9APKMSMN1; SMN2KDM4E
SCHEMBL14592085 0.74 MEN1 (0.48) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL5199273 0.74 GRM5 (0.55) NPC1RAB9AATMGAATSHR

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-20040152738-A1 Pyridyl-substituted triazoles as tgf inhibitors SMITHKLINE BEECHAM CORPORATION 2004-08-05 US disclosed
EP-1335916-A1 PYRIDYL-SUBSTITUTED TRIAZOLES AS TGF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-08-20 EP disclosed
WO-2002040476-A1 PYRIDYL-SUBSTITUTED TRIAZOLES AS TGF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-05-23 WO 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-20040152738-A1 Pyridyl-substituted triazoles as tgf inhibitors TGFBR1, TGFBR2, SMAD3 NPC1 251/4885RAB9A 3867/4885PKM 4027/4885

“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.