SCHEMBL4742817

SCHEMBL4742817

NC(c1ccon1)c1cc(-c2ccccc2N2CCN(C(=O)CO)C(F)C2)no1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.32
BRD4 O60885 1/20 0.31
SMARCA2 P51531 1/20 0.31
SMARCA4 P51532 1/20 0.31
PBRM1 Q86U86 1/20 0.31
NPC1 O15118 1/20 0.31
HDAC3 O15379 1/20 0.31
NCOR1 O75376 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL4680804 0.89 BRD4 (0.32) BRD4SMARCA2SMARCA4PBRM1
SCHEMBL4684407 0.84 MC4R (0.37) NPC1
SCHEMBL4686093 0.82 NPC1 (0.33) NPC1
SCHEMBL4742825 0.82 CACNA1G (0.33) DPP4NPC1
SCHEMBL4682751 0.82 HCRTR2 (0.32)
SCHEMBL4680812 0.72 CACNA1G (0.34) BRD4SMARCA2SMARCA4PBRM1NPC1
SCHEMBL4787561 0.69 ALDH1A1 (0.34) NPC1
SCHEMBL4684410 0.68 ALDH1A1 (0.37) NPC1
SCHEMBL4742828 0.67 IGF1R (0.35) HDAC3HDAC1HDAC2HDAC8
SCHEMBL4680902 0.59 MAPKAPK2 (0.38)

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
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 (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-20050014806-A1 Substituted isoxazoles and their use as antibiotics XDH, SCO2, HAX1 DPP4 2500/4885BRD4 880/4885SMARCA2 2604/4885

“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.