SCHEMBL4249996

SCHEMBL4249996

C#CCOc1c(OC)cc(C(=O)NC2CCC2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
OPRK1 P41145 1/20 0.53
TSHR P16473 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
SIRT5 Q9NXA8 1/20 0.50
PKM P14618 1/20 0.48
CXCR6 O00574 5/20 0.48
CXCR4 P61073 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
MCHR1 Q99705 1/20 0.45

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
SCHEMBL4248615 0.97 MEN1 (0.54) MAPK1OPRK1TSHRMEN1KMT2A
SCHEMBL4242233 0.96 MEN1 (0.56) MAPK1OPRK1TSHRMEN1KMT2A
SCHEMBL4241570 0.89 MEN1 (0.51) MAPK1OPRK1TSHRMEN1KMT2A
SCHEMBL4248958 0.87 TAS1R3 (0.52) MAPK1OPRK1TSHRSIRT5TDP1
SCHEMBL4243994 0.85 ALDH1A1 (0.46) MAPK1OPRK1TSHRPOLBSIRT5
SCHEMBL4251680 0.85 TDP1 (0.45) MAPK1OPRK1TSHRMEN1KMT2A
SCHEMBL4249936 0.85 TAS1R3 (0.55) POLBALDH1A1TDP1
SCHEMBL4243996 0.85 TDP1 (0.53) MEN1KMT2ASIRT5ALDH1A1TDP1
SCHEMBL4251856 0.84 TDP1 (0.68) MEN1KMT2ASIRT5TDP1
SCHEMBL4249013 0.84 TDP1 (0.44) MAPK1OPRK1TSHRMEN1KMT2A

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 8 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-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
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US disclosed
EP-1940780-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO., LTD. (JP) 2008-07-09 EP disclosed
WO-2007049728-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-03 WO 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 MAPK1 1923/4885OPRK1 3005/4885TSHR 3538/4885

“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.