SCHEMBL6403520

SCHEMBL6403520

O=C(NCc1cc(C2CCCCC2)no1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.45
ADCY1 Q08828 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ROCK2 O75116 1/20 0.42
PRKCA P17252 1/20 0.42
GRK2 P25098 1/20 0.42
SLC5A7 Q9GZV3 2/20 0.41
NPC1 O15118 1/20 0.41
PSMB8 P28062 1/20 0.41

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
SCHEMBL6407917 0.85 RAB9A (0.52) RAB9ASMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL6407737 0.76 HDAC6 (0.49) SMN1; SMN2ALDH1A1GAAHPGDHDAC6
SCHEMBL6403162 0.75 POLB (0.54) RAB9ASMN1; SMN2ALDH1A1HPGDHDAC6
SCHEMBL6404220 0.74 KMT2A (0.50) RAB9ASMN1; SMN2ALDH1A1HDAC6MEN1
SCHEMBL6407614 0.73 KMT2A (0.54) RAB9ASMN1; SMN2HDAC6MEN1KMT2A
SCHEMBL6404893 0.72 ROCK2 (0.56) RAB9ASMN1; SMN2ALDH1A1HPGDHDAC6
SCHEMBL6404881 0.72 SLC5A7 (0.59) RAB9ASMN1; SMN2SLC5A7NPC1
SCHEMBL6402278 0.72 HDAC6 (0.57) RAB9ASMN1; SMN2ALDH1A1HDAC6LMNA
SCHEMBL6404124 0.72 POLB (0.69) RAB9ASMN1; SMN2ALDH1A1GAALMNA
SCHEMBL6409325 0.72 NPC1 (0.64) RAB9ASMN1; SMN2ALDH1A1HPGDHDAC6

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-20050166938-A1 Device for treating keratin fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-08-04 US disclosed
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 RAB9A 4044/4885SMN1; SMN2 4458/4885ALDH1A1 1486/4885

“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.