SCHEMBL3230786

SCHEMBL3230786

C#CCOc1c(C)cc(C(=O)NCC2CCCCC2)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.68
KMT2A Q03164 3/20 0.46
ABCG2 Q9UNQ0 1/20 0.44
MMP13 P45452 1/20 0.44
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 2/20 0.42
PDE10A Q9Y233 1/20 0.42
MEN1 O00255 2/20 0.41
MAPK14 Q16539 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41

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
SCHEMBL4248420 0.94 TDP1 (0.74) TDP1KMT2AABCG2MMP13HPGD
SCHEMBL12799554 0.92 TDP1 (0.72) TDP1KMT2AABCG2MMP13HPGD
SCHEMBL4251856 0.90 TDP1 (0.68) TDP1KMT2AABCG2HPGDTP53
SCHEMBL4242119 0.89 TDP1 (0.67) TDP1KMT2AABCG2MMP13HPGD
SCHEMBL4245813 0.88 TDP1 (0.64) TDP1KMT2AABCG2TP53MEN1
SCHEMBL4248962 0.88 TDP1 (0.65) TDP1KMT2AABCG2MMP13HPGD
SCHEMBL4240864 0.85 TDP1 (0.61) TDP1KMT2AABCG2HPGDTP53
SCHEMBL4244977 0.83 TDP1 (0.61) TDP1KMT2AMMP13HPGDALDH1A1
SCHEMBL3148208 0.82 TDP1 (1.00) TDP1KMT2AABCG2MMP13TP53
SCHEMBL4249944 0.82 TDP1 (0.56) TDP1KMT2AALDH1A1POLBMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
EP-2151431-A1 AMIDE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2010-02-10 EP 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-20100069499-A1 AMIDE COMPOUND AND USE THEREOF CBR1, CBR3, GBA1 TDP1 4368/4885KMT2A 1752/4885ABCG2 3128/4885

“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.