SCHEMBL12799554

SCHEMBL12799554

C#CCOc1c(OC)cc(C(=O)NCC2CCCC2)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.72
ABCG2 Q9UNQ0 1/20 0.48
KMT2A Q03164 3/20 0.47
HPGD P15428 1/20 0.45
SIRT5 Q9NXA8 1/20 0.44
SLC6A5 Q9Y345 3/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
MMP13 P45452 1/20 0.43
PDE10A Q9Y233 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
SCHEMBL4248420 0.99 TDP1 (0.74) TDP1ABCG2KMT2AHPGDSIRT5
SCHEMBL4251856 0.98 TDP1 (0.68) TDP1ABCG2KMT2AHPGDSIRT5
SCHEMBL4245813 0.95 TDP1 (0.64) TDP1ABCG2KMT2ASIRT5SLC6A5
SCHEMBL3230786 0.92 TDP1 (0.68) TDP1ABCG2KMT2AHPGDSLC6A5
SCHEMBL4248962 0.92 TDP1 (0.65) TDP1ABCG2KMT2AHPGDSIRT5
SCHEMBL4242119 0.92 TDP1 (0.67) TDP1ABCG2KMT2AHPGDTP53
SCHEMBL4240864 0.90 TDP1 (0.61) TDP1ABCG2KMT2AHPGDSIRT5
SCHEMBL4249944 0.89 TDP1 (0.56) TDP1KMT2ASIRT5SLC6A5ALDH1A1
SCHEMBL4243996 0.86 TDP1 (0.53) TDP1KMT2ASIRT5SLC6A5TP53
SCHEMBL4244608 0.86 TDP1 (0.59) TDP1KMT2AHPGDALDH1A1MEN1

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-7902400-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-08 US disclosed
US-7902400-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-08 US disclosed
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US disclosed
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 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-20090131531-A1 Amide Compounds and their Use NAT1, ACAT2, NAAA TDP1 3052/4885ABCG2 2504/4885KMT2A 909/4885

“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.