SCHEMBL2543834

SCHEMBL2543834

O=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
THRB P10828 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 3/20 0.45
ATM Q13315 1/20 0.44
MAOB P27338 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.42
FPR2 P25090 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL2540217 0.86 DEGS1 (0.45) MAPTFPR2
SCHEMBL2539546 0.85 USP30 (0.44) ALDH1A1THRBKDM4EMEN1KMT2A
SCHEMBL2538123 0.79 DDR1 (0.45)
SCHEMBL2311726 0.77 USP30 (0.44) KMT2AFPR2
SCHEMBL2309083 0.77 RAB9A (0.49) ALDH1A1THRBKDM4ESMN1; SMN2LMNA
SCHEMBL2313161 0.76 HDAC6 (0.47) ALDH1A1THRBKDM4ELMNACA1
SCHEMBL2306003 0.76 HSD11B1 (0.43) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2541250 0.75 POLB (0.54) ALDH1A1KMT2ASMN1; SMN2LMNATDP1
SCHEMBL2534847 0.75 DPP7 (0.40)
SCHEMBL2544041 0.74 SMN1; SMN2 (0.40) ALDH1A1KDM4ESMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US claimed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US claimed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D ALDH1A1 1622/4885THRB 491/4885KDM4E 3816/4885

“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.