SCHEMBL6409345

SCHEMBL6409345

O=C(C=Cc1ccccc1)NCc1cc(CCl)no1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MMP1 P03956 5/20 0.53
MMP2 P08253 5/20 0.53
MMP9 P14780 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
EGFR P00533 1/20 0.45
POLB P06746 2/20 0.45
RECQL P46063 1/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 2/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 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
SCHEMBL6409341 1.00 KMT2A (0.56) KMT2AMEN1L3MBTL1ALDH1A1MMP1
SCHEMBL6404107 0.84 SMN1; SMN2 (0.53) KMT2AMEN1L3MBTL1ALDH1A1MMP1
SCHEMBL6404106 0.84 SMN1; SMN2 (0.53) KMT2AMEN1L3MBTL1ALDH1A1MMP1
SCHEMBL6407560 0.81 KMT2A (0.57) KMT2AMEN1L3MBTL1ALDH1A1MMP1
SCHEMBL6407564 0.81 KMT2A (0.57) KMT2AMEN1L3MBTL1ALDH1A1MMP1
SCHEMBL6407737 0.78 HDAC6 (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL6404146 0.77 EPHX2 (0.43) KMT2AMEN1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6409950 0.76 RAB9A (0.50) KMT2AL3MBTL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL6407803 0.76 RAB9A (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL6408033 0.74 NPC1 (0.52) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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 KMT2A 986/4885MEN1 3154/4885L3MBTL1 607/4885

“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.