SCHEMBL4684416

SCHEMBL4684416

O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(c2c(F)cccc2-c2cc(CNc3ccon3)on2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 13/20 0.46
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LDHA P00338 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
MC4R P32245 1/20 0.37

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
SCHEMBL4680654 0.94 ENPP2 (0.48) ENPP2MAPTMAPK1NPC1RAB9A
SCHEMBL4787570 0.89 ALDH1A1 (0.40) ENPP2KMT2AMAPTMAPK1HTT
SCHEMBL4686057 0.89 SMN1; SMN2 (0.37) ENPP2KMT2AMAPTMAPK1KDM4E
SCHEMBL4678388 0.86 KDM4E (0.36) ENPP2MAPK1KDM4EPKM
SCHEMBL4742831 0.85 NPC1 (0.38) MAPTNPC1RAB9A
SCHEMBL4684410 0.81 ALDH1A1 (0.37) ENPP2KMT2AMAPTMAPK1HTT
SCHEMBL4683309 0.78 ALDH1A1 (0.42) ENPP2KMT2AMAPTMAPK1HTT
SCHEMBL4684196 0.77 BDKRB1 (0.34) ENPP2KMT2AMAPTNPC1RAB9A
SCHEMBL4684412 0.76 ENPP2 (0.42) ENPP2KMT2AMAPTMAPK1HTT
SCHEMBL4680646 0.76 ENPP2 (0.38) ENPP2

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 ENPP2 3361/4885KMT2A 3921/4885MAPT 4610/4885

“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.