SCHEMBL3586932

SCHEMBL3586932

Nc1nocc1Cc1cc(-c2cc(F)c(N3CCNCC3)c(F)c2)no1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FEN1 P39748 1/20 0.32
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL3591487 0.87 DRD2 (0.35) FEN1
SCHEMBL3586930 0.72 IGF1R (0.41) ALDH1A1MAPTSMN1; SMN2
SCHEMBL3577363 0.65 NOTUM (0.46) SLC6A2SLC6A3
SCHEMBL22171244 0.64 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2
SCHEMBL3591482 0.61 IGF1R (0.40)
SCHEMBL31744935 0.61 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2
SCHEMBL14922241 0.60 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL31744895 0.59 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2
SCHEMBL3582354 0.59 POLB (0.54) ALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL5988848 0.59 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; 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 ALDH1A1 1778/4885MAPT 3754/4885SMN1; SMN2 3098/4885
US-20050014806-A1 Substituted isoxazoles and their use as antibiotics XDH, SCO2, HAX1 ALDH1A1 1181/4885MAPT 4610/4885SMN1; SMN2 3326/4885

“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.