SCHEMBL5776749

SCHEMBL5776749

CC(C)(N)c1cc2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 1/20 0.44
CA2 P00918 2/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA1 P00915 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 3/20 0.42
AGXT P21549 1/20 0.42
CYP2A6 P11509 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MGLL Q99685 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAOB P27338 2/20 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
SCHEMBL800706 0.83 KDM4E (0.44) FLT3LOXL2SMN1; SMN2POLBCA2
SCHEMBL23692162 0.80 MAOB (0.43) FLT3LOXL2SMN1; SMN2POLBCA2
SCHEMBL8036000 0.80 KDM4E (0.46) FLT3LOXL2SMN1; SMN2CA12CA9
SCHEMBL6207196 0.79 FLT3 (0.50) FLT3SMN1; SMN2CA12CA9CA1
SCHEMBL28018770 0.78 KDM4E (0.44) FLT3LOXL2SMN1; SMN2CA12CA9
SCHEMBL34471215 0.77 ALDH1A1 (0.42) SMN1; SMN2CA2CA12CA9CA1
SCHEMBL13713849 0.77 CYP19A1 (0.42) FLT3LOXL2SMN1; SMN2POLBCA12
SCHEMBL10287250 0.77 LOXL2 (0.43) FLT3LOXL2SMN1; SMN2POLBCA2
SCHEMBL6000886 0.76 CYP2A6 (0.42) FLT3LOXL2SMN1; SMN2POLBCA2
SCHEMBL21275553 0.76 LOXL2 (0.42) FLT3LOXL2SMN1; SMN2POLBCA12

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-20060293297-A1 Cyanofluoropyrrolidine derviative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-12-28 US disclosed
EP-1627870-A1 CYANOFLUOROPYRROLIDINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-02-22 EP 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-20060293297-A1 Cyanofluoropyrrolidine derviative DPP4, DPP3, NPY4R FLT3 570/4885LOXL2 3761/4885SMN1; SMN2 3375/4885

“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.