SCHEMBL3591482

SCHEMBL3591482

Fc1cc(-c2cc(CNc3ccon3)on2)ccc1N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.40
KDR P35968 3/20 0.36
SYK P43405 3/20 0.36
MAPKAPK2 P49137 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
BMPR1A P36894 1/20 0.34
ACVR1B P36896 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
CSF1R P07333 1/20 0.33
CDK4 P11802 1/20 0.33
CDK6 Q00534 1/20 0.33
CYP2E1 P05181 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
SCHEMBL3586930 0.88 IGF1R (0.41) IGF1RCYP2E1
SCHEMBL4682699 0.83 GAA (0.38) KDRSYKDRD2DRD4DRD3
SCHEMBL3582885 0.81 IGF1R (0.46) IGF1R
SCHEMBL6401628 0.80 GAA (0.40) KDRSYKDRD2DRD4DRD3
SCHEMBL3577363 0.80 NOTUM (0.46) KDRSYKMAPKAPK2DRD2DRD4
SCHEMBL3582354 0.79 POLB (0.54) KDRSYKMAPKAPK2DRD2DRD4
SCHEMBL14066488 0.79 PSEN1 (0.43) IGF1RKCNH2
SCHEMBL4679791 0.78 BLM (0.37) IGF1R
SCHEMBL4784687 0.78 SMN1; SMN2 (0.45)
SCHEMBL4684254 0.78 ALDH1A1 (0.40) KDRSYKDRD2DRD4DRD3

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 IGF1R 2449/4885KDR 2768/4885SYK 2503/4885
US-20050014806-A1 Substituted isoxazoles and their use as antibiotics XDH, SCO2, HAX1 IGF1R 798/4885KDR 4819/4885SYK 1899/4885

“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.