SCHEMBL6400646

SCHEMBL6400646

O=C(COc1ccccn1)N1CCN(c2c(F)cccc2-c2cc(CNc3ccon3)on2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.35
POLB P06746 3/20 0.35
PKM P14618 1/20 0.35
BDKRB1 P46663 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IGF1R P08069 2/20 0.34
SCN7A Q01118 3/20 0.34
KCNH2 Q12809 3/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 2/20 0.34
RECQL P46063 1/20 0.34
NPC1 O15118 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN8A Q9UQD0 1/20 0.34

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 0.88 NPC1 (0.38) POLBMAPTGAASMN1; SMN2NPC1
SCHEMBL4678388 0.88 KDM4E (0.36) KDM4EPOLBPKMBDKRB1ALDH1A1
SCHEMBL4787570 0.86 ALDH1A1 (0.40) KDM4EPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL4686057 0.86 SMN1; SMN2 (0.37) KDM4EPKMALDH1A1MAPTSMN1; SMN2
SCHEMBL4684416 0.85 ENPP2 (0.46) KDM4EPKMMAPTKMT2ANPC1
SCHEMBL4686096 0.84 POLB (0.38) POLBALDH1A1MAPTTSHRNPC1
SCHEMBL6400642 0.81 IGF1R (0.34) IGF1RMEN1KMT2A
SCHEMBL6405927 0.80 POLB (0.42) KDM4EPOLBPKMBDKRB1ALDH1A1
SCHEMBL4684196 0.80 BDKRB1 (0.34) BDKRB1MAPTIGF1RMEN1KMT2A
SCHEMBL4784687 0.76 SMN1; SMN2 (0.45) KDM4EPOLBALDH1A1MAPTGAA

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 KDM4E 3793/4885POLB 1162/4885PKM 3036/4885

“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.