SCHEMBL3934765

SCHEMBL3934765

NC(CO)Cc1n[nH]c2c(C(F)(F)F)cccc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ AR P10275 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CTNNB1 P35222 1/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ AXL P30530 1/20 0.33
▸ SCN9A Q15858 4/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ PARP1 P09874 1/20 0.31

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
SCHEMBL3944819 0.82 AR (0.37) ARLMNACTNNB1WNT3ASCN9A
SCHEMBL3933897 0.77 KDM4E (0.46) KIF11SMN1; SMN2ARKDM4EALDH1A1
SCHEMBL10271522 0.76 KIF11 (0.46) KIF11SMN1; SMN2ARKDM4EMEN1
SCHEMBL2661233 0.72 CHEK1 (0.55) KIF11SMN1; SMN2ARKDM4EMEN1
SCHEMBL20278787 0.72 CXCR4 (0.39) KDM4EMEN1ALDH1A1KMT2ACTNNB1
SCHEMBL16252832 0.71 CTNNB1 (0.44) KIF11SMN1; SMN2ARKDM4EMEN1
SCHEMBL20674188 0.70 KIF11 (0.46) KIF11SMN1; SMN2ARKDM4EMEN1
SCHEMBL16240695 0.69 CTNNB1 (0.45) KIF11SMN1; SMN2ARKDM4EMEN1
SCHEMBL13122112 0.69 KIF11 (0.47) KIF11SMN1; SMN2ARKDM4EMEN1
SCHEMBL10220393 0.68 KIF11 (0.47) KIF11SMN1; SMN2ARKDM4EMEN1

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-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 — — US disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 — — 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-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 KIF11 3734/4885SMN1; SMN2 2238/4885AR 7/4885

“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.

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