SCHEMBL6630167

SCHEMBL6630167

O=C(O)C(=O)Nc1cccnc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.79
NPC1 O15118 4/20 0.79
PKM P14618 1/20 0.79
NAMPT P43490 3/20 0.64
LMNA P02545 2/20 0.61
HIF1A Q16665 1/20 0.61
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 2/20 0.60
TP53 P04637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GAA P10253 1/20 0.57
GPR35 Q9HC97 1/20 0.57
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CDK2 P24941 1/20 0.54
FLT4 P35916 1/20 0.54
HPGD P15428 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
SCHEMBL30504811 0.90 RAB9A (0.89) RAB9ANPC1PKMNAMPTLMNA
SCHEMBL967245 0.84 RAB9A (0.72) RAB9ANPC1PKMNAMPTLMNA
SCHEMBL11213715 0.84 RAB9A (0.72) RAB9ANPC1PKMNAMPTLMNA
SCHEMBL9262080 0.83 RAB9A (0.71) RAB9ANPC1PKMNAMPTLMNA
SCHEMBL6989004 0.83 RAB9A (0.71) RAB9ANPC1PKMNAMPTLMNA
SCHEMBL30051982 0.82 MEN1 (0.77) RAB9ANPC1PKMNAMPTLMNA
SCHEMBL9637653 0.82 MEN1 (0.77) RAB9ANPC1PKMNAMPTLMNA
Hydrochloric Acid SCHEMBL28051146 0.81 RAB9A (0.69) RAB9ANPC1PKMNAMPTLMNA
SCHEMBL10665495 0.81 RAB9A (0.79) RAB9ANPC1PKMNAMPTLMNA
SCHEMBL12828408 0.80 RAB9A (0.67) RAB9ANPC1PKMNAMPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 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 (2 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-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 RAB9A 320/4885NPC1 39/4885PKM 2130/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE RAB9A 512/4885NPC1 37/4885PKM 4622/4885

“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.