SCHEMBL6402399

SCHEMBL6402399

Cc1ccc(C(=O)NCc2cc(Cc3cccc(C)c3)no2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.46
ROCK2 O75116 1/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
MMP13 P45452 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 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
SCHEMBL6403880 0.91 TDP1 (0.51) TDP1POLBMEN1KMT2ALMNA
SCHEMBL6403819 0.89 TDP1 (0.52) TDP1POLBROCK2MAPTMEN1
SCHEMBL6410547 0.83 NPC1 (0.55) TDP1POLBMEN1KMT2ALMNA
SCHEMBL6403323 0.82 ALDH1A1 (0.50) TDP1TP53POLBROCK2MAPT
SCHEMBL6404220 0.82 KMT2A (0.50) TDP1POLBROCK2MEN1KMT2A
SCHEMBL6405248 0.81 POLB (0.57) TDP1POLBMAPTMEN1KMT2A
SCHEMBL6404261 0.81 TDP1 (0.50) TDP1TP53POLBMAPTMEN1
SCHEMBL6409368 0.81 TDP1 (0.52) TDP1TP53POLBMAPTMEN1
SCHEMBL6406019 0.81 KMT2A (0.55) TDP1POLBMEN1KMT2ALMNA
SCHEMBL6401509 0.80 KMT2A (0.52) TDP1POLBMEN1KMT2AHPGD

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 TDP1 1721/4885TP53 4011/4885POLB 3713/4885

“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.