SCHEMBL4680902

SCHEMBL4680902

NC(c1ccon1)c1cc(-c2ccc(N3CCNCC3)c(F)c2)no1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.38
BMPR1A P36894 2/20 0.35
ACVR1B P36896 2/20 0.35
ACVRL1 P37023 2/20 0.35
ACVR1 Q04771 2/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
FEN1 P39748 1/20 0.33
CSF1R P07333 3/20 0.33
CDK4 P11802 3/20 0.33
CDK6 Q00534 3/20 0.33
BMPR1B O00238 1/20 0.33
HTR7 P34969 2/20 0.33
HTR1A P08908 1/20 0.33
HTR2B P41595 1/20 0.33
HTR6 P50406 1/20 0.33
KDR P35968 1/20 0.33
SYK P43405 1/20 0.33
PIK3CD O00329 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
SCHEMBL4679671 0.79 MAPT (0.43)
SCHEMBL4679789 0.77 BLM (0.35)
SCHEMBL6405235 0.76 SMN1; SMN2 (0.44)
SCHEMBL3591482 0.75 IGF1R (0.40) MAPKAPK2BMPR1AACVR1BACVRL1ACVR1
SCHEMBL4683028 0.74 GRIA1 (0.30)
SCHEMBL3577363 0.73 NOTUM (0.46) MAPKAPK2BMPR1AACVR1BACVRL1ACVR1
SCHEMBL4680634 0.73 PSEN1 (0.33)
SCHEMBL4686134 0.71 MAPT (0.40) HTR1A
SCHEMBL3591487 0.71 DRD2 (0.35) MAPKAPK2BMPR1AACVR1BACVRL1ACVR1
SCHEMBL31111676 0.69 HRH3 (0.51) BMPR1AACVR1BACVRL1ACVR1PIM1

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 MAPKAPK2 4807/4885BMPR1A 1883/4885ACVR1B 3219/4885

“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.