SCHEMBL4684407

SCHEMBL4684407

NC(c1ccon1)c1cc(-c2ccccc2N2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C(F)C2)no1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.37
ENPP2 Q13822 10/20 0.37
LMNA P02545 1/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CPT1A P50416 3/20 0.35
CPT2 P23786 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4680643 0.93 ENPP2 (0.39) ENPP2CPT1ACPT2NPC1RAB9A
SCHEMBL4686047 0.89 CPT1A (0.37) MAPTCPT1ACPT2
SCHEMBL4787558 0.89 ALDH1A1 (0.35) ENPP2ALDH1A1CPT1ACPT2
SCHEMBL4678379 0.86 CPT1A (0.34) MAPTCPT1ACPT2
SCHEMBL6400638 0.86 HCRTR2 (0.31) CPT1ACPT2
SCHEMBL4684410 0.85 ALDH1A1 (0.37) MC4RENPP2LMNAKMT2AMAPT
SCHEMBL4680646 0.79 ENPP2 (0.38) ENPP2CPT1ACPT2
SCHEMBL6405908 0.75 MAPT (0.36) LMNAKMT2AMAPTHTTALDH1A1
SCHEMBL4686052 0.74 CPT1A (0.37) LMNAKMT2AMAPTALDH1A1CPT1A
SCHEMBL4787561 0.74 ALDH1A1 (0.34) ENPP2KMT2AALDH1A1CPT1ANPC1

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 MC4R 1161/4885ENPP2 3361/4885LMNA 2423/4885

“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.