SCHEMBL3591487

SCHEMBL3591487

Nc1nocc1Cc1cc(-c2ccc(N3CCNCC3)c(F)c2)no1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.35
DRD4 P21917 4/20 0.35
DRD3 P35462 4/20 0.35
KDR P35968 1/20 0.33
SYK P43405 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
BMPR1A P36894 2/20 0.32
ACVR1B P36896 2/20 0.32
ACVRL1 P37023 2/20 0.32
ACVR1 Q04771 2/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
FEN1 P39748 1/20 0.32
BMPR1B O00238 1/20 0.32
CSF1R P07333 2/20 0.31
CDK4 P11802 2/20 0.31
CDK6 Q00534 2/20 0.31
SMARCA2 P51531 1/20 0.31
SMARCA4 P51532 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
SCHEMBL3586932 0.87 ALDH1A1 (0.37) FEN1
SCHEMBL3577363 0.80 NOTUM (0.46) DRD2DRD4DRD3KDRSYK
SCHEMBL3591482 0.74 IGF1R (0.40) DRD2DRD4DRD3KDRSYK
SCHEMBL3582354 0.73 POLB (0.54) DRD2DRD4DRD3KDRSYK
SCHEMBL4680902 0.71 MAPKAPK2 (0.38) KDRSYKMAPKAPK2BMPR1AACVR1B
SCHEMBL6402651 0.69
SCHEMBL8226204 0.68 BMPR1A (0.40) KDRSYKMAPKAPK2BMPR1AACVR1B
SCHEMBL8220996 0.66 POLB (0.50) MAPKAPK2CSF1RCDK4CDK6HTR7
SCHEMBL31111676 0.66 HRH3 (0.51) KDRSYKBMPR1AACVR1BACVRL1
SCHEMBL354519 0.66 NPY2R (0.52) CSF1RCDK4CDK6HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075984-A1 DICARBONYLIC COMPOUNDS WITH ANTIBACTERIAL ACTIVITY LABORATORIOS SALVAT, S.A. (ES) 2010-03-25 US disclosed
EP-1976837-A1 DICARBONYLIC COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Laboratorios SALVAT, S.A. (ES) 2008-10-08 EP disclosed
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
WO-2007082910-A1 DICARBONYLIC COMPOUNDS WITH ANTIBACTERIAL ACTIVITY LABORATORIOS SALVAT, S.A. (ES) 2007-07-26 WO 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 (2 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-20100075984-A1 DICARBONYLIC COMPOUNDS WITH ANTIBACTERIAL ACTIVITY AHR, DDC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 DRD2 970/4885DRD4 760/4885DRD3 425/4885
US-20050014806-A1 Substituted isoxazoles and their use as antibiotics XDH, SCO2, HAX1 DRD2 1490/4885DRD4 845/4885DRD3 504/4885

“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.