SCHEMBL6403203

SCHEMBL6403203

CC(C)c1cc(CNC(=O)NC2CCCCC2)on1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.61
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
EPHX1 P07099 3/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 1/20 0.48
SLC5A7 Q9GZV3 7/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 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
SCHEMBL6409949 0.84 EPHX2 (0.57) EPHX2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6401607 0.82 EPHX2 (0.57) EPHX2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6402627 0.81 EPHX1 (0.51) EPHX2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6409359 0.81 RAB9A (0.59) RAB9ASMN1; SMN2NPC1TSHRALDH1A1
SCHEMBL6406584 0.80 EPHX1 (0.50) EPHX2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6404969 0.80 EPHX1 (0.50) EPHX2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6407673 0.80 EPHX1 (0.50) EPHX2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6404204 0.80 RAB9A (0.50) EPHX2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6405207 0.80 SMN1; SMN2 (0.47) EPHX2RAB9ASMN1; SMN2NPC1TSHR
SCHEMBL6407578 0.79 EPHX1 (0.48) EPHX2RAB9ASMN1; SMN2NPC1ALDH1A1

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 EPHX2 2961/4885RAB9A 4044/4885SMN1; SMN2 4458/4885

“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.