SCHEMBL6405927

SCHEMBL6405927

O=C(c1cccnc1)N1CCN(c2c(F)cccc2-c2cc(CNc3ccon3)on2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
BDKRB1 P46663 4/20 0.42
CCNT1 O60563 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.38
DPP4 P27487 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4742831 0.85 NPC1 (0.38) POLBCCNT1MAPTNPC1LMNA
SCHEMBL4684196 0.81 BDKRB1 (0.34) BDKRB1MEN1KMT2AMAPTNPC1
SCHEMBL6400646 0.80 KDM4E (0.35) POLBBDKRB1ALDH1A1PKMMEN1
SCHEMBL6405917 0.79 MAPT (0.35) POLBCCNT1ALDH1A1MEN1KMT2A
SCHEMBL4686096 0.78 POLB (0.38) POLBALDH1A1MAPTNPC1LMNA
SCHEMBL4787570 0.77 ALDH1A1 (0.40) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL4686057 0.77 SMN1; SMN2 (0.37) ALDH1A1PKMMEN1KMT2AKDM4E
SCHEMBL4684416 0.76 ENPP2 (0.46) PKMKMT2AKDM4EMAPTMAPK1
SCHEMBL6405920 0.74 CYP1A2 (0.37) BDKRB1LMNA
SCHEMBL4738996 0.70 IGF1R (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 POLB 1162/4885BDKRB1 2236/4885CCNT1 1020/4885

“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.