SCHEMBL3615182

SCHEMBL3615182

C[C@H](C(=O)OC(C)(C)C)C(N)(O)c1nc2ccccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 6/20 0.38
NPC1 O15118 5/20 0.38
MAPT P10636 5/20 0.38
HSD17B10 Q99714 4/20 0.38
TNF P01375 1/20 0.38
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
MIF P14174 1/20 0.38
TP53 P04637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
USP2 O75604 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSP90AA1 P07900 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5490461 1.00 RAB9A (0.41) RAB9ASMN1; SMN2KMT2AALDH1A1NPC1
SCHEMBL5947070 1.00 RAB9A (0.41) RAB9ASMN1; SMN2KMT2AALDH1A1NPC1
SCHEMBL5466852 0.85 RAB9A (0.40) RAB9ASMN1; SMN2KMT2AALDH1A1NPC1
SCHEMBL5513719 0.85 RAB9A (0.40) RAB9ASMN1; SMN2KMT2AALDH1A1NPC1
SCHEMBL5947396 0.83 RAB9A (0.38) RAB9ASMN1; SMN2KMT2AALDH1A1NPC1
SCHEMBL5730450 0.76 KMT2A (0.38) RAB9ASMN1; SMN2KMT2AALDH1A1NPC1
SCHEMBL27798694 0.73 CYP1A2 (0.49) KMT2AALDH1A1MAPT
SCHEMBL38661956 0.72 RAB9A (0.45) RAB9ASMN1; SMN2KMT2AALDH1A1NPC1
SCHEMBL23207497 0.72 MAPT (0.47) RAB9ASMN1; SMN2KMT2AALDH1A1NPC1
SCHEMBL29639834 0.72 MAPT (0.47) RAB9ASMN1; SMN2KMT2AALDH1A1NPC1

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-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 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 (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-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS RAB9A 966/4885SMN1; SMN2 4478/4885KMT2A 4394/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE RAB9A 978/4885SMN1; SMN2 4865/4885KMT2A 4029/4885

“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.