SCHEMBL3591952

SCHEMBL3591952

CC(=O)NCc1cc(-c2ccc(F)c(F)c2)no1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.72
SMN1; SMN2 Q16637 3/20 0.65
CYP1A2 P05177 2/20 0.65
LMNA P02545 2/20 0.54
HTT P42858 4/20 0.53
ALDH1A1 P00352 3/20 0.53
JAK2 O60674 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
EPHX2 P34913 3/20 0.47
MAPT P10636 4/20 0.47
THRB P10828 1/20 0.47
SUCNR1 Q9BXA5 2/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 1/20 0.45
IGF1R P08069 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL17469084 0.84 POLB (1.00) POLBSMN1; SMN2CYP1A2LMNAHTT
SCHEMBL6623576 0.82 POLB (0.56) POLBSMN1; SMN2CYP1A2LMNAHTT
SCHEMBL4680699 0.81 POLB (0.48) POLBSMN1; SMN2CYP1A2LMNAHTT
SCHEMBL23451628 0.81 POLB (0.75) POLBSMN1; SMN2CYP1A2LMNAHTT
SCHEMBL3582354 0.80 POLB (0.54) POLBSMN1; SMN2CYP1A2LMNAHTT
SCHEMBL4684193 0.80 POLB (0.54) POLBSMN1; SMN2CYP1A2LMNAHTT
SCHEMBL15904002 0.78 POLB (0.71) POLBSMN1; SMN2CYP1A2LMNAHTT
SCHEMBL4683349 0.77 NOTUM (0.66) POLBSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL6407414 0.75 MAPT (0.47) POLBSMN1; SMN2CYP1A2LMNAHTT
SCHEMBL4684429 0.74 NOTUM (0.66) POLBSMN1; SMN2CYP1A2LMNAHTT

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-20100075984-A1 DICARBONYLIC COMPOUNDS WITH ANTIBACTERIAL ACTIVITY LABORATORIOS SALVAT, S.A. (ES) 2010-03-25 US disclosed
EP-1437349-B9 SUBSTITUTED ISOXAZOLES AND THE USE THEREOF AS ANTIBIOTICS S A L V A T LAB SA (ES) 2008-09-10 EP disclosed
EP-1437349-B1 SUBSTITUTED ISOXAZOLES AND THE USE THEREOF AS ANTIBIOTICS S A L V A T LAB SA (ES) 2007-08-15 EP disclosed
US-20050014806-A1 Substituted isoxazoles and their use as antibiotics LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2005-01-20 US disclosed
EP-1437349-A1 SUBSTITUTED ISOXAZOLES AND THE USE THEREOF AS ANTIBIOTICS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-07-14 EP 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-20100075984-A1 DICARBONYLIC COMPOUNDS WITH ANTIBACTERIAL ACTIVITY AHR, DDC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 POLB 568/4885SMN1; SMN2 3098/4885CYP1A2 350/4885
US-20050014806-A1 Substituted isoxazoles and their use as antibiotics XDH, SCO2, HAX1 POLB 1162/4885SMN1; SMN2 3326/4885CYP1A2 102/4885

“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.