SCHEMBL6794849

SCHEMBL6794849

Cc1cccc(CC(=O)c2ccc3c(c2)CCO3)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 8/20 0.48
WNT3A P56704 8/20 0.48
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
TAS1R3 Q7RTX0 3/20 0.46
TAS1R1 Q7RTX1 3/20 0.46
PKM P14618 1/20 0.46
PRKCI P41743 1/20 0.45
ACHE P22303 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CLK1 P49759 1/20 0.43
PTGER3 P43115 1/20 0.41

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
SCHEMBL6794489 0.88 NPC1 (0.59) CTNNB1WNT3ARAB9ANPC1PKM
SCHEMBL4032725 0.82 KDM4E (0.56) CTNNB1WNT3ARAB9ANPC1PKM
SCHEMBL6871504 0.78 RAB9A (0.47) CTNNB1WNT3ARAB9ANPC1TAS1R3
SCHEMBL1091802 0.76 ATM (0.69) CTNNB1WNT3ARAB9ANPC1TAS1R3
SCHEMBL14044259 0.74 PRKCI (0.58) CTNNB1WNT3ARAB9ANPC1TAS1R3
SCHEMBL11022828 0.73 HPGD (0.70) CTNNB1WNT3ATAS1R3TAS1R1PKM
SCHEMBL6181845 0.73 PRKCI (0.57) CTNNB1WNT3ARAB9ANPC1TAS1R3
SCHEMBL1182701 0.73 PRKCI (0.57) CTNNB1WNT3ARAB9ANPC1TAS1R3
SCHEMBL14592085 0.72 MEN1 (0.48) RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL5199273 0.72 GRM5 (0.55) RAB9ANPC1

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 CTNNB1 833/4885WNT3A 1064/4885RAB9A 3867/4885

“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.