SCHEMBL6404226

SCHEMBL6404226

O=C(NCc1cc(-c2ccccc2)no1)NC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.57
HPGD P15428 1/20 0.57
S1PR1 P21453 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
EPHX2 P34913 3/20 0.49
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.48
NOTUM Q6P988 1/20 0.47
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6402421 0.89 RAB9A (0.59) EPHX1HPGDS1PR1NPC1RAB9A
SCHEMBL6403544 0.87 RAB9A (0.57) EPHX1HPGDS1PR1NPC1RAB9A
SCHEMBL25833852 0.83 EPHX2 (0.53) EPHX1HPGDRAB9AEPHX2SMN1; SMN2
SCHEMBL6407336 0.83 EPHX1 (0.63) EPHX1HPGDNPC1RAB9AEPHX2
SCHEMBL19263070 0.82 ALDH1A1 (0.51) HPGDSMN1; SMN2LMNANOTUMPOLB
SCHEMBL27423623 0.82 NOTUM (0.52) NPC1RAB9AEPHX2SMN1; SMN2LMNA
SCHEMBL6408604 0.81 EPHX1 (0.61) EPHX1HPGDNPC1RAB9AEPHX2
SCHEMBL15104600 0.81 NOTUM (0.51) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL6407407 0.80 EPHX1 (0.53) EPHX1HPGDNPC1RAB9AEPHX2
SCHEMBL6409949 0.79 EPHX2 (0.57) EPHX1HPGDNPC1RAB9AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide SDS BIOTECH K.K. (JP) 2005-08-04 US 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-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide AHR, ERG28, CYP1A2 EPHX1 3213/4885HPGD 3244/4885S1PR1 2892/4885

“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.