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SCHEMBL4244677

SCHEMBL4244677

C#CCOc1c(F)cc(C(=O)NC(C)C2CCC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CNR2 P34972 2/20 0.36
▸ WDR5 P61964 1/20 0.35
▸ NAMPT P43490 2/20 0.35
▸ IDO1 P14902 2/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ P2RX2 Q9UBL9 1/20 0.35
▸ CHRNA1 P02708 1/20 0.35
▸ CYP2C8 P10632 1/20 0.35
▸ PDE4A P27815 1/20 0.34

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
SCHEMBL4245831 0.98 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDCYP2C9CYP2C19
SCHEMBL4245880 0.97 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDCYP2C9CYP2C19
SCHEMBL12799575 0.97 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDCYP2C9CYP2C19
SCHEMBL4248947 0.95 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDCYP2C9CYP2C19
SCHEMBL4249016 0.92 SIRT5 (0.42) ALDH1A1KDM4EHPGDCYP2C9CYP2C19
SCHEMBL4245878 0.90 MAPK1 (0.41) ALDH1A1KDM4EHPGDCYP2C9CYP2C19
SCHEMBL4244298 0.89 TDP1 (0.43) ALDH1A1KDM4EHPGDCYP2C9CYP2C19
SCHEMBL12799579 0.89 TDP1 (0.43) ALDH1A1KDM4EHPGDCYP2C9CYP2C19
SCHEMBL3291059 0.87 MAOB (0.43) P2RX3P2RX2
SCHEMBL2290252 0.86 DHODH (0.38) ALDH1A1KDM4EHPGDCYP2C9CYP2C19

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 ALDH1A1 1905/4885KDM4E 1792/4885HPGD 2210/4885

“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.