SCHEMBL4683255

SCHEMBL4683255

OCc1cc(-c2cc(F)c(F)c(F)c2)no1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.59
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 3/20 0.37
P2RY14 Q15391 2/20 0.37
TSPO P30536 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
TRPV3 Q8NET8 1/20 0.36
RET P07949 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LGALS1 P09382 2/20 0.34
LGALS3 P17931 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 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
SCHEMBL4683349 0.83 NOTUM (0.66) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL103310 0.79 NOTUM (0.70) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL20845555 0.78 NOTUM (0.67) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3233333 0.76 NOTUM (0.72) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1441397 0.76 NOTUM (0.56) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1313626 0.74 NOTUM (1.00) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31037002 0.74 SMN1; SMN2 (0.50) SMN1; SMN2LMNAL3MBTL1CYP1A2
SCHEMBL190291 0.73 NOTUM (0.72) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31434870 0.73 NOTUM (0.71) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4275449 0.72 NOTUM (0.60) NOTUMNPC1RAB9ASMN1; SMN2LMNA

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 NOTUM 3353/4885NPC1 1710/4885RAB9A 3410/4885

“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.