SCHEMBL4249016

SCHEMBL4249016

C#CCOc1c(F)cc(C(=O)NC(C)C2CCC2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.42
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.38
ALOX12 P18054 1/20 0.38
TSHR P16473 1/20 0.38
OPRK1 P41145 1/20 0.38
CXCR6 O00574 2/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL4245878 0.98 MAPK1 (0.41) SIRT5MAPK1ALDH1A1TDP1POLB
SCHEMBL4244298 0.97 TDP1 (0.43) SIRT5MAPK1ALDH1A1TDP1POLB
SCHEMBL12799579 0.97 TDP1 (0.43) SIRT5MAPK1ALDH1A1TDP1POLB
SCHEMBL4243994 0.93 ALDH1A1 (0.46) SIRT5MAPK1ALDH1A1TDP1POLB
SCHEMBL4244677 0.92 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL4249942 0.91 ALDH1A1 (0.46) SIRT5MAPK1ALDH1A1TDP1POLB
SCHEMBL4244903 0.90 TDP1 (0.46) SIRT5MAPK1ALDH1A1TDP1POLB
SCHEMBL4245831 0.90 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL4245880 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL12799575 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDCYP1A2CYP3A4

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 6 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

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 SIRT5 167/4885MAPK1 1923/4885ALDH1A1 1905/4885

“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.