SCHEMBL202436

SCHEMBL202436

CCCc1ccc(-c2ccc(C(=O)NC(Cn3ccnc3)C(=O)O[C@H]3CCCCO3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 9/20 0.56
CYP3A4 P08684 4/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
CYP51A1 Q16850 2/20 0.38

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
SCHEMBL201689 0.79 CYP26A1 (0.67) CYP26A1CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL204254 0.77 CYP26A1 (0.44) CYP26A1CYP1A2CD274
SCHEMBL204255 0.77 CYP26A1 (0.44) CYP26A1CYP1A2CD274
SCHEMBL201199 0.73 CYP2B6 (0.36) CYP26A1
SCHEMBL201200 0.73 CYP2B6 (0.36) CYP26A1
SCHEMBL14496859 0.66 MGLL (0.33)
SCHEMBL9850547 0.65 TBXAS1 (0.49)
SCHEMBL24240734 0.64 CYP26A1 (0.72) CYP26A1CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL2691599 0.64 HDAC1 (0.53) CYP26A1TAS1R3TAS1R1
SCHEMBL8226157 0.63 NPC1 (0.57) CYP2C19CYP1A2

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-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
EP-1963262-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2008-09-03 EP disclosed
WO-2007069020-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-06-21 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 (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 CYP26A1 1198/4885CYP3A4 1791/4885CYP2C19 1432/4885

“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.