SCHEMBL6405928

SCHEMBL6405928

O=C(NCc1cc(CCl)no1)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
HPGD P15428 2/20 0.52
KMT2A Q03164 6/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 5/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.49
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 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
SCHEMBL6407737 0.83 HDAC6 (0.49) HPGDKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6404369 0.81 SMN1; SMN2 (0.56) MAPK1HPGDKMT2ARAB9ASMN1; SMN2
SCHEMBL6402261 0.80 HPGD (0.53) HPGDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6404399 0.79 HSD17B10 (0.48) MAPK1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL6408033 0.79 NPC1 (0.52) MAPK1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL6403980 0.79 SMN1; SMN2 (0.55) HPGDKMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL6410595 0.79 HPGD (0.51) MAPK1HPGDKMT2ARAB9ASMN1; SMN2
SCHEMBL6405160 0.78 POLB (0.51) HPGDKMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL6407596 0.78 NPC1 (0.58) HPGDKMT2ARAB9ANPC1CYP1A2
SCHEMBL6407810 0.77 HPGD (0.57) HPGDKMT2ANPC1ALDH1A1HTT

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 MAPK1 2993/4885HPGD 3244/4885KMT2A 986/4885

“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.