SCHEMBL16600458

SCHEMBL16600458

Cc1cc2ccc(Cl)c(F)c2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
EIF4A3 P38919 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP2A6 P11509 1/20 0.32
KEAP1 Q14145 1/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 3/20 0.32
GPR17 Q13304 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AXL P30530 1/20 0.31
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
POLB P06746 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL5673136 0.80 KDM4E (0.36) KDM4EHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL21235185 0.78
SCHEMBL30648016 0.77 EIF4A3 (0.37) KDM4EHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL32673963 0.77 KDM4E (0.34) KDM4EHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL4429156 0.76 KDM4E (0.44) KDM4EHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL21569525 0.73 GRIN2D (0.44) NR3C1PGR
SCHEMBL1757881 0.72 HRH4 (0.32) CYP2A6KEAP1
SCHEMBL837013 0.72 DAO (0.53) KDM4EHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL16600333 0.72 PIP5K1C (0.34)
SCHEMBL30310477 0.72 EIF4A3 (0.61) KDM4EALDH1A1HPGDEIF4A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
EP-3183005-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF METABOLIC DISORDERS Pharmakea, Inc. (US) 2017-06-28 EP disclosed
EP-3049405-A1 AUTOTAXIN INHIBITOR COMPOUNDS Pharmakea Inc. (US) 2016-08-03 EP disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
WO-2016028686-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF METABOLIC DISORDERS PHARMAKEA, INC. (US) 2016-02-25 WO disclosed
WO-2016028686-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF METABOLIC DISORDERS PHARMAKEA, INC. (US) 2016-02-25 WO disclosed
US-9051320-B1 Methods for the treatment of metabolic disorders by a selective small molecule autotaxin inhibitor PHARMAKEA, INC. (US) 2015-06-09 US disclosed
US-9051320-B1 Methods for the treatment of metabolic disorders by a selective small molecule autotaxin inhibitor PHARMAKEA, INC. (US) 2015-06-09 US disclosed
US-9051320-B1 Methods for the treatment of metabolic disorders by a selective small molecule autotaxin inhibitor PHARMAKEA, INC. (US) 2015-06-09 US disclosed
WO-2015048301-A1 AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-04-02 WO disclosed
WO-2015048301-A1 AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-04-02 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 (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-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, SERPINE1 KDM4E 4044/4885HTT 138/4885SMN1; SMN2 2892/4885

“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.