SCHEMBL3824032

SCHEMBL3824032

OCc1cc(F)c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HPGD P15428 3/20 0.32
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 1/20 0.32
CBFB Q13951 1/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL6301457 0.88 GPR84 (0.37) KDM1AKDM1BCBFBMAPTTSHR
SCHEMBL6192193 0.88 GPR84 (0.37) KDM1AKDM1BCBFBMAPTTSHR
SCHEMBL24133181 0.84 ALOX15 (0.39) APEX1HPGDMAPTTSHRALOX15
SCHEMBL376895 0.83 KDM1A (0.39) KDM1AKDM1BMAPTTSHRGPR84
SCHEMBL30030883 0.83 KDM1A (0.39) KDM1AKDM1BMAPTTSHRGPR84
SCHEMBL2554312 0.82 KDM1A (0.44) KDM1AKDM1BNPC1RAB9A
SCHEMBL30296468 0.82 KDM1A (0.44) KDM1AKDM1BNPC1RAB9A
SCHEMBL25584446 0.82 SHBG (0.34) ALOX15ALOX12
SCHEMBL8879998 0.82 GAA (0.33) TAAR1ALDH1A1GAA
SCHEMBL17466054 0.82 KDM1A (0.37) KDM1AKDM1BNPC1RAB9A

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-7872018-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-18 US disclosed
US-7872018-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-18 US disclosed
EP-2094701-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-09-02 EP disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
WO-2008080001-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
WO-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
WO-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
US-20060264433-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES 2006-11-23 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-20060264433-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 POLB 3200/4885APEX1 3747/4885HPGD 1750/4885
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 POLB 1487/4885APEX1 3722/4885HPGD 2589/4885

“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.