SCHEMBL4680702

SCHEMBL4680702

O=C(O)N(Cc1cc(-c2cc(F)c(F)c(F)c2)no1)c1ccon1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.35
HPGD P15428 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2E1 P05181 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
USP30 Q70CQ3 2/20 0.32
MMP2 P08253 1/20 0.31
MMP8 P22894 1/20 0.31
MMP12 P39900 1/20 0.31
POLB P06746 1/20 0.31
CYP11B1 P15538 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
JAK2 O60674 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL4686166 0.90 KMO (0.40) NOTUMHPGDPOLBCYP11B1TP53
SCHEMBL4684216 0.75 MAPT (0.36) NOTUMHPGDPOLBTP53SMN1; SMN2
SCHEMBL6403916 0.69 NPC1 (0.50) NOTUMHPGDNPC1RAB9AMMP2
SCHEMBL4679278 0.69 IGF1R (0.37) NOTUMNPC1RAB9ACYP2C9CYP2C19
SCHEMBL4683255 0.68 NOTUM (0.59) NOTUMNPC1RAB9ACYP2C9CYP2E1
SCHEMBL4740687 0.67 MAPT (0.37) HPGDPOLBTP53LMNAALDH1A1
SCHEMBL6409336 0.64 NOTUM (0.55) NOTUMHPGDNPC1RAB9ACYP2C9
SCHEMBL6409980 0.64 RAB9A (0.48) NOTUMHPGDNPC1RAB9AUSP30
SCHEMBL31037002 0.64 SMN1; SMN2 (0.50) HPGDPOLBSMN1; SMN2LMNAJAK2
SCHEMBL27605125 0.63 RAB9A (0.39) HPGDNPC1RAB9ACYP2C9CYP2C19

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 3353/4885HPGD 746/4885NPC1 1710/4885

“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.