SCHEMBL4787564

SCHEMBL4787564

O=Cc1ccc(OCC(=O)N2CCN(c3ccc(-c4cc(CNc5ccon5)on4)cc3)CC2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
ACACB O00763 4/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
IGF1R P08069 6/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL4686055 0.90 CPT1A (0.39) ALDH1A1ACACBHTTMAPTSMN1; SMN2
SCHEMBL4684412 0.89 ENPP2 (0.42) ALDH1A1ACACBHTTMAPTNPC1
SCHEMBL4787561 0.88 ALDH1A1 (0.34) ALDH1A1NPC1RAB9AENPP2CPT1A
SCHEMBL4678384 0.86 CYP2C19 (0.37) CYP1A2IGF1RCPT1A
SCHEMBL4680817 0.85 SMN1; SMN2 (0.36) ALDH1A1HTTMAPTSMN1; SMN2CYP1A2
SCHEMBL4742828 0.85 IGF1R (0.35) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4680652 0.84 ENPP2 (0.40) ENPP2CPT1A
SCHEMBL4683309 0.80 ALDH1A1 (0.42) ALDH1A1HTTMAPTSMN1; SMN2LMNA
SCHEMBL4686052 0.78 CPT1A (0.37) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6405920 0.77 CYP1A2 (0.37) HDAC1HDAC6SMN1; SMN2CYP1A2IGF1R

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 ALDH1A1 1181/4885HDAC3 197/4885HDAC4 652/4885

“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.