SCHEMBL201399

SCHEMBL201399

CCc1ccc(-c2ccccc2C(=O)N2CC[C@@H](N)[C@H]2C(=O)NO)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.39
HCRTR2 O43614 8/20 0.39
MLNR O43193 4/20 0.38
CYP3A4 P08684 3/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
KDM1A O60341 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL202856 0.92 HCRTR1 (0.38) HCRTR1HCRTR2MLNRCYP3A4LMNA
SCHEMBL201357 0.88 HCRTR1 (0.41) HCRTR1HCRTR2MLNRCYP3A4SCN1A
SCHEMBL2693934 0.84 SLC6A7 (0.41) S1PR1S1PR5MMP9MMP13
SCHEMBL201878 0.80 HCRTR1 (0.38) HCRTR1HCRTR2MLNRCYP3A4LMNA
SCHEMBL200952 0.80 HCRTR1 (0.40) HCRTR1HCRTR2MLNRCYP3A4SCN1A
SCHEMBL201008 0.80 HCRTR1 (0.38) HCRTR1HCRTR2MLNRCYP3A4LMNA
SCHEMBL202594 0.79 HCRTR1 (0.39) HCRTR1HCRTR2MLNRCYP3A4LMNA
SCHEMBL201630 0.78 LMNA (0.38) HCRTR1HCRTR2MLNRCYP3A4SCN1A
SCHEMBL203250 0.78 LMNA (0.38) HCRTR1HCRTR2MLNRCYP3A4SCN1A
SCHEMBL203327 0.78 HCRTR1 (0.41) HCRTR1HCRTR2MLNRCYP3A4SCN1A

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-8088804-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2012-01-03 US disclosed
EP-2338878-A2 N-hydroxyamide derivatives possessing antibacterial activity Vicuron Pharmaceuticals, Inc. (US) 2011-06-29 EP disclosed
US-20100022605-A1 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. 2010-01-28 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 (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-20100022605-A1 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY NAAA, HDHD5, HACL2 HCRTR1 1201/4885HCRTR2 1892/4885MLNR 1501/4885

“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.