SCHEMBL6407560

SCHEMBL6407560

O=C(/C=C/c1ccccc1)NCc1cc(-c2ccccc2)no1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MEN1 O00255 1/20 0.57
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
NOTUM Q6P988 1/20 0.54
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
POLB P06746 2/20 0.49

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
SCHEMBL6407564 1.00 KMT2A (0.57) KMT2AALDH1A1L3MBTL1MEN1MMP1
SCHEMBL6409341 0.81 KMT2A (0.56) KMT2AALDH1A1L3MBTL1MEN1MMP1
SCHEMBL6409345 0.81 KMT2A (0.56) KMT2AALDH1A1L3MBTL1MEN1MMP1
SCHEMBL6408141 0.81 POLB (0.56) ALDH1A1L3MBTL1NOTUMPOLBSMN1; SMN2
SCHEMBL23451628 0.79 POLB (0.75) ALDH1A1L3MBTL1NOTUMPOLBSMN1; SMN2
SCHEMBL31686338 0.79 NOTUM (0.58) ALDH1A1L3MBTL1MMP2NOTUMPOLB
SCHEMBL6404107 0.78 SMN1; SMN2 (0.53) KMT2AALDH1A1L3MBTL1MEN1MMP1
SCHEMBL6404106 0.78 SMN1; SMN2 (0.53) KMT2AALDH1A1L3MBTL1MEN1MMP1
SCHEMBL31124145 0.75 NOTUM (0.54) ALDH1A1L3MBTL1MMP2NOTUMPOLB
SCHEMBL6409331 0.75 ALDH1A1 (0.57) ALDH1A1L3MBTL1NOTUMPOLBSMN1; SMN2

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 986/4885ALDH1A1 1486/4885L3MBTL1 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.