SCHEMBL1748281

SCHEMBL1748281

CC(Nc1cc(F)ccc1C(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.45
HDAC3 O15379 4/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC4 P56524 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ASPH Q12797 2/20 0.45
KDM8 Q8N371 2/20 0.45
RIOX2 Q8IUF8 1/20 0.45
NPC1 O15118 1/20 0.45
KDM4C Q9H3R0 1/20 0.44
MTOR P42345 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GPR139 Q6DWJ6 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL1748139 0.85 GRN (0.36) KDM4EMEN1KMT2AGPR139ALDH1A1
SCHEMBL1748261 0.83 KMT2A (0.39) NPC1GAAMEN1KMT2AALDH1A1
SCHEMBL28665908 0.78 KDM4E (0.59) KDM4EASPHKDM8RIOX2NPC1
SCHEMBL475541 0.77 SMN1; SMN2 (0.60) KDM4EKMT2AALDH1A1
SCHEMBL475608 0.77 SMN1; SMN2 (0.60) KDM4EKMT2AALDH1A1
SCHEMBL475393 0.77 SMN1; SMN2 (0.60) KDM4EKMT2AALDH1A1
Hydrochloric Acid SCHEMBL1748452 0.77 SMN1; SMN2 (0.59) KDM4EKMT2AALDH1A1
Hydrochloric Acid SCHEMBL1748451 0.77 SMN1; SMN2 (0.59) KDM4EKMT2AALDH1A1
Hydrochloric Acid SCHEMBL1748959 0.77 SMN1; SMN2 (0.59) KDM4EKMT2AALDH1A1
SCHEMBL7006284 0.74 GRIK1 (0.44) HDAC1NPC1GAAALDH1A1

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 HDAC6 2187/4885HDAC3 1461/4885HDAC1 2385/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B HDAC6 2187/4885HDAC3 1461/4885HDAC1 2385/4885

“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.