SCHEMBL6404207

SCHEMBL6404207

COc1ccc(C(=O)NCc2cc(CNC(=O)c3ccccc3)no2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.59
MEN1 O00255 3/20 0.59
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 2/20 0.56
NPC1 O15118 3/20 0.54
RAB9A P51151 2/20 0.54
TDP1 Q9NUW8 1/20 0.53
CYP1A2 P05177 4/20 0.53
CYP2C19 P33261 3/20 0.53
HSD17B10 Q99714 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP3A4 P08684 2/20 0.53
TP53 P04637 2/20 0.53
HPGD P15428 1/20 0.53
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52
POLB P06746 1/20 0.50
GAA P10253 2/20 0.49
CYP2C9 P11712 2/20 0.49
EPHX2 P34913 1/20 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
SCHEMBL6404219 0.95 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL6407402 0.91 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL6404921 0.90 NPC1 (0.55) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL6402217 0.90 KMT2A (0.55) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL6403442 0.89 KMT2A (0.59) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL6407567 0.89 KMT2A (0.55) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL6402530 0.87 KMT2A (0.54) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL6409982 0.87 KMT2A (0.53) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL6403585 0.87 SMN1; SMN2 (0.55) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL6407570 0.86 RAB9A (0.59) KMT2AMEN1ALDH1A1KDM4ENPC1

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 3154/4885ALDH1A1 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.