Sugi Predict

Sugi Predict / Compounds / SCHEMBL3655431

SCHEMBL3655431

SCHEMBL3655431

COc1cc(N(C)C)c(Cl)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ HPGD P15428 2/20 0.49
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ GAA P10253 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SPR P35270 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
SCHEMBL5753996 0.85 FSCN1 (0.49) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL12316334 0.85 GAA (0.47) KDM4EALDH1A1HPGDGAAHTT
SCHEMBL11452642 0.84 TSHR (0.50) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL11455445 0.84 ALDH1A1 (0.44) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL3387534 0.83 ALDH1A1 (0.56) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL11463716 0.82 ALDH1A1 (0.45) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL11310945 0.82 LCK (0.58) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL3617721 0.82 ALDH1A1 (0.55) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL6647328 0.80 LCK (0.56) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL2366676 0.79 KDM4E (0.51) KDM4EALDH1A1HPGDLCKFYN

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209790-B1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-17 — — EP disclosed
CN-101855224-B Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV 2012-11-28 — — CN disclosed
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 — — US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 — — US disclosed
CN-101855224-A Equilibrative nucleoside transporter ENT 1 inhibitors JANSSEN PHARMACEUTICA NV 2010-10-06 — — CN disclosed
EP-2209790-A2 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2010-07-28 — — EP disclosed
EP-1891064-B1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS ALMIRALL SA (ES) 2009-09-02 — — EP disclosed
EP-1891064-B1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS ALMIRALL SA (ES) 2009-09-02 — — EP disclosed
WO-2009062990-A2 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-22 — — WO disclosed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 — — US disclosed
US-4935511-A Nervous system, gastrointestinal disorders RORER PHARMACEUTICAL CORPORATION (US) 1990-06-19 — — US disclosed
US-4870181-A AMIDATION OF 3-AMINOQUINUCLIDINE SALT A. H. ROBINS COMPANY, INCORPORATED (US) 1989-09-26 — — US disclosed
US-4870074-A Substituted benzamide derivatives, for enhancing gastrointestinal motility DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 — — US disclosed
US-4722834-A Method of using 2-alkoxy-N-(1-azabicyclo[2.2.2]oct-3-yl)benzamide-N-oxides to control emesis caused by anticancer drugs A. H. ROBINS COMPANY, INCORPORATED (US) 1988-02-02 — — US disclosed
EP-0243959-A1 Substituted benzamide derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-04 — — EP disclosed
EP-0237281-A1 2-alkoxy-N-(1-azabicyclo[2.2.2]-oct-3-yl) benzamide-N-oxides in the control of emesis caused by anticancer drugs SYNTHELABO (FR) 1987-09-16 — — EP disclosed
EP-0190915-A2 Process for the preparation of 2-alkoxy-N-(1-azabicyclo[2.2.2]octan-3-yl) aminobenzamides SYNTHELABO (FR) 1986-08-13 — — EP disclosed
US-4210660-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, ESPECIALLY ANTIPSYCOTICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-07-01 — — US disclosed
US-4197243-A ANTIPSYCHOTICS, STRONG CNS DEPRESSANTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-04-08 — — US disclosed
US-4097487-A CNS DEPRESSANTS, ANTIPSYCHOTICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1978-06-27 — — 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-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists CCR1, CCR3, CCR8 KDM4E 3458/4885ALDH1A1 628/4885HPGD 1652/4885
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS SLC29A1, SLC29A2, SLC43A3 KDM4E 4733/4885ALDH1A1 516/4885HPGD 969/4885

“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.