SCHEMBL3586930

SCHEMBL3586930

Fc1cc(-c2cc(CNc3ccon3)on2)cc(F)c1N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 15/20 0.41
CYP2E1 P05181 1/20 0.35
MAOA P21397 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3591482 0.88 IGF1R (0.40) IGF1RCYP2E1
SCHEMBL4679278 0.81 IGF1R (0.37) IGF1RALDH1A1MAPTSMN1; SMN2
SCHEMBL4683309 0.75 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2
SCHEMBL3586932 0.72 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2
SCHEMBL4682699 0.71 GAA (0.38) ALDH1A1MAPTSMN1; SMN2
SCHEMBL14066488 0.71 PSEN1 (0.43) IGF1R
SCHEMBL4679791 0.70 BLM (0.37) IGF1R
SCHEMBL4686151 0.69 IGF1R (0.33) IGF1RALDH1A1MAPT
SCHEMBL6401628 0.69 GAA (0.40) ALDH1A1MAPTSMN1; SMN2
SCHEMBL4686158 0.68 IGF1R (0.33) IGF1RALDH1A1SMN1; SMN2

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 2449/4885CYP2E1 194/4885MAOA 2470/4885
US-20050014806-A1 Substituted isoxazoles and their use as antibiotics XDH, SCO2, HAX1 IGF1R 798/4885CYP2E1 69/4885MAOA 838/4885

“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.