SCHEMBL6405950

SCHEMBL6405950

O=C(NCc1cc(COc2ccccc2)no1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
PKM P14618 1/20 0.55
EPHX2 P34913 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GRM5 P41594 1/20 0.44
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL6407407 0.85 EPHX1 (0.53) NPC1RAB9AEPHX2SMN1; SMN2MEN1
SCHEMBL6403210 0.83 EPHX1 (0.51) NPC1RAB9AEPHX2SMN1; SMN2MEN1
SCHEMBL6409920 0.83 ALDH1A1 (0.59) NPC1RAB9APKMEPHX2SMN1; SMN2
SCHEMBL6407914 0.80 RAB9A (0.48) NPC1RAB9ASMN1; SMN2MEN1LMNA
SCHEMBL6410506 0.78 HPGD (0.46) NPC1RAB9AEPHX2HPGDUSP2
SCHEMBL19263070 0.78 ALDH1A1 (0.51) SMN1; SMN2LMNAHTTHPGDUSP2
SCHEMBL6404110 0.76 RAB9A (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6404107 0.76 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6406598 0.76 LMNA (0.61) NPC1RAB9ASMN1; SMN2MEN1LMNA
SCHEMBL6404106 0.76 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1

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 NPC1 1915/4885RAB9A 4044/4885PKM 3751/4885

“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.