SCHEMBL2691599

SCHEMBL2691599

CCCc1ccc(-c2ccc(C(=O)N[C@@H](Cn3cccn3)C(=O)NO)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.53
HDAC6 Q9UBN7 3/20 0.53
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
CYP26A1 O43174 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
PLK1 P53350 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CTSS P25774 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39

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
SCHEMBL14496867 0.90 HDAC1 (0.51) HDAC1HDAC6TAS1R3TAS1R1CYP26A1
SCHEMBL404117 0.80 TAS1R3 (0.56) TAS1R3TAS1R1L3MBTL1PLK1NPC1
SCHEMBL201342 0.79 TAS1R3 (0.55) TAS1R3TAS1R1L3MBTL1PLK1NPC1
SCHEMBL401475 0.79 TAS1R3 (0.55) TAS1R3TAS1R1L3MBTL1PLK1NPC1
SCHEMBL2692851 0.78 TAS1R3 (0.54) TAS1R3TAS1R1L3MBTL1PLK1NPC1
SCHEMBL201120 0.78 TAS1R3 (0.54) TAS1R3TAS1R1L3MBTL1PLK1NPC1
SCHEMBL201119 0.78 TAS1R3 (0.54) TAS1R3TAS1R1L3MBTL1PLK1NPC1
SCHEMBL10244797 0.77 PSMB5 (0.52) HDAC1HDAC6TAS1R3TAS1R1HDAC3
SCHEMBL2692891 0.76 TAS1R3 (0.52) TAS1R3TAS1R1L3MBTL1PLK1NPC1
SCHEMBL202853 0.76 TAS1R3 (0.52) TAS1R3TAS1R1L3MBTL1PLK1NPC1

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 4 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
US-8088804-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2012-01-03 US disclosed
US-20100022605-A1 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. 2010-01-28 US 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 HDAC1 404/4885HDAC6 306/4885TAS1R3 1250/4885

“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.