SCHEMBL4742831

SCHEMBL4742831

O=C(CO)N1CCN(c2c(F)cccc2-c2cc(CNc3ccon3)on2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
CDK9 P50750 4/20 0.33
RAB9A P51151 1/20 0.33
CCNT1 O60563 2/20 0.33
CACNA1G O43497 1/20 0.33
SCN1A P35498 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
FAAH O00519 3/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOA P21397 1/20 0.32
CNR2 P34972 1/20 0.32
EPHX2 P34913 1/20 0.32
AR P10275 1/20 0.32
CYP2E1 P05181 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6400646 0.88 KDM4E (0.35) NPC1MAPTPOLBSCN5ASCN8A
SCHEMBL4686096 0.88 POLB (0.38) NPC1MAPTPOLBLMNA
SCHEMBL4787570 0.86 ALDH1A1 (0.40) MAPTPOLBSMN1; SMN2LMNA
SCHEMBL4678388 0.86 KDM4E (0.36) POLBCDK9SMN1; SMN2
SCHEMBL4686057 0.86 SMN1; SMN2 (0.37) MAPTSMN1; SMN2LMNA
SCHEMBL4684196 0.86 BDKRB1 (0.34) NPC1TP53MAPTRAB9ASCN1A
SCHEMBL4684416 0.85 ENPP2 (0.46) NPC1MAPTRAB9A
SCHEMBL6405927 0.85 POLB (0.42) NPC1MAPTPOLBCCNT1LMNA
SCHEMBL4742825 0.77 CACNA1G (0.33) NPC1MAPTPOLBCACNA1GFAAH
SCHEMBL4738996 0.76 IGF1R (0.30)

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 NPC1 1710/4885TP53 3569/4885MAPT 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.