SCHEMBL3319619

SCHEMBL3319619

Cc1nnsc1C(=O)N1CCN(C(=O)CC(C)(C)C(N)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
ALDH1A1 P00352 6/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.33
AGTR1 P30556 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32
BRD4 O60885 1/20 0.32
IDO1 P14902 1/20 0.31

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
SCHEMBL3317732 0.81 SIGLEC9 (0.43) MAPTALDH1A1GAALMNA
SCHEMBL3319618 0.79 MAPT (0.45) MAPTRAB9AGFERALDH1A1MMP1
SCHEMBL11536904 0.76 RAB9A (0.51) MAPTRAB9AGFERALDH1A1MMP1
SCHEMBL11540796 0.74 ALDH1A1 (0.52) MAPTRAB9AGFERALDH1A1KDM4E
SCHEMBL3319548 0.73 KDM4E (0.51) MAPTALDH1A1KDM4ELMNA
SCHEMBL11542984 0.72 CNR1 (0.49) MAPTRAB9AGFERALDH1A1KDM4E
SCHEMBL3319737 0.72 HTT (0.43) MAPTALDH1A1POLBTDP1LMNA
SCHEMBL3320069 0.71 KMT2A (0.50) MAPTRAB9AALDH1A1KDM4ETDP1
SCHEMBL4959138 0.71 CYP1A2 (0.42) MAPTALDH1A1KDM4ETDP1LMNA
SCHEMBL4959108 0.70 ATM (0.43) ALDH1A1L3MBTL1GAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125075-A1 Antibacterial Agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2010-05-20 US disclosed
US-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 US disclosed
US-20050065095-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2005-03-24 US disclosed
US-6846825-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-01-25 US disclosed
WO-2001010834-A9 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARM (GB) 2001-08-09 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-20050065095-A1 Antibacterial agents NQO2, DAO, Q6ZSR9 MAPT 4845/4885RAB9A 640/4885GFER 318/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 MAPT 4855/4885RAB9A 788/4885GFER 316/4885

“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.