SCHEMBL4684429

SCHEMBL4684429

NCc1cc(-c2ccc(F)c(F)c2)no1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.66
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2E1 P05181 1/20 0.53
CYP2A6 P11509 1/20 0.53
CYP2B6 P20813 1/20 0.53
MAPT P10636 3/20 0.43
THRB P10828 1/20 0.43
IGF1R P08069 1/20 0.39
RAB9A P51151 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA4 P43681 1/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38

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) NOTUMCYP2C9MAPTTHRBIGF1R
SCHEMBL2906099 0.83 NOTUM (0.70) NOTUMCYP2C9CYP2C19CYP2E1CYP2A6
Hydrochloric Acid SCHEMBL21776875 0.81 NOTUM (0.68) NOTUMCYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL3989189 0.81 NOTUM (0.72) NOTUMCYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL2900978 0.79 NOTUM (1.00) NOTUMCYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL3981494 0.77 NOTUM (0.72) NOTUMCYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL4307346 0.76 HDAC3 (0.41) NOTUMMAPTTHRBIGF1RHTT
SCHEMBL2901444 0.76 NOTUM (0.70) NOTUMCYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL2898351 0.76 NOTUM (0.70) NOTUMCYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL2906394 0.75 NOTUM (1.00) NOTUMCYP2C9CYP2C19CYP2E1CYP2A6

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 3353/4885CYP2C9 83/4885CYP2C19 99/4885

“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.