SCHEMBL13624256

SCHEMBL13624256

CC[C@H](N)CNc1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 3/20 0.47
PAX8 Q06710 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 6/20 0.39
HTT P42858 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 5/20 0.37
CYP2C9 P11712 2/20 0.37
CYP17A1 P05093 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
XBP1 P17861 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
SCHEMBL3889561 0.79 MEN1 (0.51) MEN1KMT2ALMNAPAX8SMN1; SMN2
SCHEMBL4367293 0.78 MAPT (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4367299 0.78 MAPT (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL13624261 0.75 LTA4H (0.54) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL16649412 0.73 CYP2C19 (0.48) MEN1KMT2ALMNAPAX8SMN1; SMN2
SCHEMBL6002583 0.73 MEN1 (0.44) MEN1KMT2ALMNAPAX8SMN1; SMN2
SCHEMBL12015662 0.72 MEN1 (0.50) MEN1KMT2ALMNAPAX8SMN1; SMN2
SCHEMBL4375292 0.72 ALDH1A1 (0.47) MEN1KMT2ALMNAPAX8SMN1; SMN2
Hydrochloric Acid SCHEMBL16563752 0.72 CYP2C19 (0.47) MEN1KMT2ALMNAPAX8SMN1; SMN2
SCHEMBL498377 0.71 ALDH1A1 (0.56) MEN1KMT2ALMNAPAX8SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF MEN1 1994/4885KMT2A 3986/4885LMNA 4790/4885

“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.