SCHEMBL6408604

SCHEMBL6408604

O=C(NCc1cc(Cc2ccccc2)no1)NC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.61
HPGD P15428 2/20 0.61
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
EPHX2 P34913 3/20 0.52
NPC1 O15118 2/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 1/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
DRD4 P21917 1/20 0.46
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6407336 0.99 EPHX1 (0.63) EPHX1HPGDRAB9ASMN1; SMN2EPHX2
SCHEMBL6403210 0.83 EPHX1 (0.51) EPHX1HPGDRAB9ASMN1; SMN2EPHX2
SCHEMBL6409920 0.82 ALDH1A1 (0.59) HPGDRAB9ASMN1; SMN2EPHX2NPC1
SCHEMBL6407407 0.82 EPHX1 (0.53) EPHX1HPGDRAB9ASMN1; SMN2EPHX2
SCHEMBL6407578 0.82 EPHX1 (0.48) EPHX1HPGDRAB9ASMN1; SMN2EPHX2
SCHEMBL6402627 0.82 EPHX1 (0.51) EPHX1HPGDRAB9ASMN1; SMN2EPHX2
SCHEMBL6404226 0.81 EPHX1 (0.57) EPHX1HPGDRAB9ASMN1; SMN2EPHX2
SCHEMBL6407673 0.81 EPHX1 (0.50) EPHX1HPGDRAB9ASMN1; SMN2EPHX2
SCHEMBL6404969 0.81 EPHX1 (0.50) EPHX1HPGDRAB9ASMN1; SMN2EPHX2
SCHEMBL6406584 0.81 EPHX1 (0.50) EPHX1HPGDRAB9ASMN1; SMN2EPHX2

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 3244/4885RAB9A 4044/4885

“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.