SCHEMBL1748103

SCHEMBL1748103

COc1c(Cl)cc(F)cc1C(C)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.38
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
TPMT P51580 1/20 0.34
GAA P10253 1/20 0.34
KCNH2 Q12809 2/20 0.33
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
RORC P51449 1/20 0.32
CYP3A4 P08684 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MDM2 Q00987 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1747991 0.82 LMNA (0.39) PDE2ACYP1A2CYP2C19CYP2D6ALDH1A1
SCHEMBL22646842 0.82 LMNA (0.39) PDE2ACYP1A2CYP2C19CYP2D6ALDH1A1
SCHEMBL1748548 0.80 ALDH1A1 (0.34) ALDH1A1GAA
SCHEMBL3759267 0.78 ALDH1A1 (0.44) ALDH1A1KDM4ETPMTGAAHPGD
SCHEMBL9929044 0.75 PDE2A (0.35) PDE2ACYP1A2CYP2C19CYP2D6ALDH1A1
Hydrochloric Acid SCHEMBL11041828 0.74 ALDH1A1 (0.33) CYP1A2CYP2C19CYP2D6ALDH1A1KDM4E
SCHEMBL19181870 0.73 IMPDH2 (0.38) PDE2ACYP1A2CYP2C19CYP2D6ALDH1A1
SCHEMBL31015937 0.72 PTGS2 (0.37) ALDH1A1KDM4ETPMTGAAHPGD
SCHEMBL1223114 0.72 PTGS2 (0.37) ALDH1A1KDM4ETPMTGAAHPGD
SCHEMBL23489650 0.71 PDE2A (0.47) PDE2AKCNH2HTR2ASLC6A4

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 10 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
EP-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP disclosed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US disclosed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 WO 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 PDE2A 1496/4885CYP1A2 151/4885CYP2C19 172/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B PDE2A 1496/4885CYP1A2 151/4885CYP2C19 172/4885

“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.