SCHEMBL6405908

SCHEMBL6405908

NC(c1ccon1)c1cc(-c2ccccc2N2CCN(C(=O)c3cccnc3)C(F)C2)no1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 3/20 0.34
STAT3 P40763 1/20 0.34
PIK3CD O00329 1/20 0.34
POLB P06746 2/20 0.33
HSD17B10 Q99714 1/20 0.33
SMO Q99835 1/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 1/20 0.31
IDH1 O75874 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
SCHEMBL4742817 0.84 DPP4 (0.32)
SCHEMBL6405917 0.82 MAPT (0.35) MAPTMEN1KMT2AALDH1A1STAT3
SCHEMBL6400638 0.80 HCRTR2 (0.31)
SCHEMBL4682751 0.79 HCRTR2 (0.32)
SCHEMBL4686093 0.79 NPC1 (0.33) ALDH1A1
SCHEMBL4686047 0.76 CPT1A (0.37) MAPTL3MBTL1SMN1; SMN2
SCHEMBL6405920 0.70 CYP1A2 (0.37) PIK3CDLMNASMN1; SMN2
SCHEMBL4678381 0.70 IDH1 (0.34) MAPTALDH1A1LMNASMN1; SMN2IDH1
SCHEMBL6400642 0.64 IGF1R (0.34) MEN1KMT2A
SCHEMBL18081186 0.62 PBRM1 (0.72) SMO

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 4610/4885MEN1 3331/4885KMT2A 3921/4885

“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.