SCHEMBL5356087

SCHEMBL5356087

Oc1ccc(C2(C(F)(F)F)NN2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.38
ESR2 Q92731 6/20 0.38
KIF11 P52732 1/20 0.37
LMNA P02545 2/20 0.36
CYP3A4 P08684 2/20 0.36
TYR P14679 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
CA12 O43570 1/20 0.36
GMNN O75496 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 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
SCHEMBL14216867 0.77 MAOB (0.38) LMNAMEN1CA1CA2CA5A
SCHEMBL14216812 0.76 ALDH1A1 (0.36) KIF11ALDH1A1MAPTBLMPMP22
SCHEMBL17625640 0.75 TSHR (0.37) ALDH1A1TSHR
SCHEMBL24400504 0.74 ESR1 (0.45) ESR1ESR2SLC6A3
SCHEMBL31410709 0.74
SCHEMBL17625650 0.72 CES1 (0.35) CA2
SCHEMBL24209554 0.72 LOXL2 (0.41) CA12CA1CA2CA4CA5A
SCHEMBL19090382 0.71 MAPT (0.44) HPGDMEN1NPC1ALDH1A1MAPT
SCHEMBL17625661 0.71 PTPRZ1 (0.49) MMP2
SCHEMBL15895082 0.70 HDAC6 (0.47) HPGDCA2PDK2TSHR

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-7232914-B2 Sphingomyelin analogues and a process for preparation thereof DAISO CO., LTD (JP) 2007-06-19 US claimed
US-20060008518-A1 Sphingomyelin analogues and a process for preparation thereof DAISO CO., LTD. (JP) 2006-01-12 US claimed
US-7232914-B2 Sphingomyelin analogues and a process for preparation thereof DAISO CO., LTD (JP) 2007-06-19 US disclosed
US-20060008518-A1 Sphingomyelin analogues and a process for preparation thereof DAISO CO., LTD. (JP) 2006-01-12 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-20060008518-A1 Sphingomyelin analogues and a process for preparation thereof SGMS1, SGMS2, SMPD1 ESR1 3980/4885ESR2 3954/4885KIF11 1990/4885

“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.