SCHEMBL4244301

SCHEMBL4244301

C#CCOc1c(F)cc(C(=O)NCCC2CCCCC2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
ATM Q13315 1/20 0.41
SLC29A1 Q99808 1/20 0.40
ROCK2 O75116 2/20 0.40
PKN2 Q16513 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4245881 0.99 TDP1 (0.51) TDP1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL4249017 0.97 TDP1 (0.48) TDP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4249944 0.92 TDP1 (0.56) TDP1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL4245882 0.91 NPC1 (0.42) TDP1POLBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL4242119 0.90 TDP1 (0.67) TDP1MEN1KMT2APOLBALDH1A1
SCHEMBL4243996 0.90 TDP1 (0.53) TDP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4245834 0.90 NPC1 (0.43) TDP1POLBALDH1A1L3MBTL1
SCHEMBL4248962 0.89 TDP1 (0.65) TDP1KMT2APOLBALDH1A1TP53
SCHEMBL4244678 0.88 NPC1 (0.40) TDP1L3MBTL1
SCHEMBL4247544 0.88 TDP1 (0.49) TDP1MEN1KMT2APOLBSMN1; 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 2 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-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 3052/4885MEN1 3713/4885KMT2A 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.