SCHEMBL6405920

SCHEMBL6405920

O=C(c1cccnc1)N1CCN(c2ccc(-c3cc(CNc4ccon4)on3)cc2)CC1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
ROCK2 O75116 1/20 0.34
PRKCA P17252 1/20 0.34
GRK2 P25098 1/20 0.34
IGF1R P08069 3/20 0.34
HDAC6 Q9UBN7 2/20 0.34
LMNA P02545 1/20 0.34
GFER P55789 1/20 0.34
PLOD2 O00469 1/20 0.33
PLOD3 O60568 1/20 0.33
PLOD1 Q02809 1/20 0.33
BDKRB1 P46663 1/20 0.33
HDAC1 Q13547 1/20 0.33
USP30 Q70CQ3 1/20 0.33
GAA P10253 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL6405917 0.88 MAPT (0.35) ROCK2PRKCAGRK2LMNATP53
SCHEMBL4678384 0.87 CYP2C19 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4742828 0.85 IGF1R (0.35) CYP1A2IGF1RHDAC6LMNAHDAC1
SCHEMBL4787564 0.77 ALDH1A1 (0.36) CYP1A2IGF1RHDAC6LMNAHDAC1
SCHEMBL4686055 0.77 CPT1A (0.39) CYP1A2IGF1RLMNASMN1; SMN2
SCHEMBL4678381 0.75 IDH1 (0.34) IGF1RLMNASMN1; SMN2
SCHEMBL6405927 0.74 POLB (0.42) LMNABDKRB1
SCHEMBL4742825 0.73 CACNA1G (0.33) CYP1A2CYP3A4CYP2D6CYP2C19IGF1R
SCHEMBL6405908 0.70 MAPT (0.36) LMNASMN1; SMN2PIK3CD
SCHEMBL6400642 0.70 IGF1R (0.34) IGF1RUSP30

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 CYP1A2 102/4885CYP3A4 73/4885CYP2D6 193/4885

“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.