SCHEMBL1748154

SCHEMBL1748154

CC(Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C(=O)C(F)(F)F)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PDK2 Q15119 1/20 0.43
SOS1 Q07889 1/20 0.41
MAPT P10636 6/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALK Q9UM73 3/20 0.40
STS P08842 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
P2RX7 Q99572 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL1748174 0.89 ALDH1A1 (0.52) SMN1; SMN2HTTNPSR1PDK2SOS1
SCHEMBL1748300 0.89 SOS1 (0.44) SMN1; SMN2HTTNPSR1PDK2SOS1
SCHEMBL475388 0.83 HPGD (0.46) SMN1; SMN2HTTNPSR1SOS1MAPT
SCHEMBL1748702 0.83 SMN1; SMN2 (0.50) SMN1; SMN2HTTNPSR1PDK2MAPT
SCHEMBL5280864 0.81 SMN1; SMN2 (0.47) SMN1; SMN2HTTNPSR1PDK2MAPT
SCHEMBL1748254 0.75 MAPT (0.64) SMN1; SMN2HTTNPSR1MAPTALDH1A1
SCHEMBL15063654 0.75 CYP3A4 (0.50) SMN1; SMN2HTTNPSR1PDK2SOS1
SCHEMBL15063653 0.75 CYP3A4 (0.50) SMN1; SMN2HTTNPSR1PDK2SOS1
SCHEMBL5277473 0.74 HTR6 (0.58) SMN1; SMN2HTTNPSR1PDK2MAPT
SCHEMBL23784871 0.73 MAPT (0.57) SMN1; SMN2HTTNPSR1PDK2MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604021-B2 Substituted arylamine compounds and methods of treatment BECKER OREN (IL) 2013-12-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 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 (2 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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B SMN1; SMN2 3858/4885HTT 375/4885NPSR1 128/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B SMN1; SMN2 3858/4885HTT 375/4885NPSR1 128/4885

“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.