SCHEMBL1748304

SCHEMBL1748304

COc1c(Cl)cc(F)cc1C=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.40
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 2/20 0.39
TPMT P51580 1/20 0.39
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MCL1 Q07820 1/20 0.37
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRKDC P78527 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL30310598 1.00 ERN1 (0.40) ERN1ALDH1A1KDM4EGAATPMT
SCHEMBL1186103 0.81 ERN1 (0.52) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL29951095 0.81 ERN1 (0.52) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL6413771 0.81 ERN1 (0.53) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL31551028 0.81 ERN1 (0.53) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL3759267 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EGAATPMTTDP1
SCHEMBL31538431 0.79 ERN1 (0.49) ERN1ALDH1A1KDM4EGAATSHR
SCHEMBL1747997 0.79 ERN1 (0.41) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL14292700 0.79 ERN1 (0.41) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL6103512 0.78 ERN1 (0.42) ERN1CA1CA2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 CN disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
EP-4161902-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-04-12 EP disclosed
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed
EP-2774914-B1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF UNIV NANJING MEDICAL (CN) 2017-12-06 EP disclosed
US-9481636-B2 N-benzylaniline derivative and uses thereof NANJING MEDICAL UNIVERSITY (CN) 2016-11-01 US disclosed
US-20140303248-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Neurodawn Pharmaceutical Co., Ltd. (CN) 2014-10-09 US disclosed
US-20070179060-A1 6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2007-08-02 US disclosed
WO-2007082098-A2 6-(POLY-SUBSTITUTED ARYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2007-07-19 WO 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
EP-0112620-B1 5-(SUBSTITUTED PHENYL) HYDANTOINS PFIZER INC. (US) 1986-12-30 EP disclosed
EP-0112620-A1 5-(Substituted phenyl) hydantoins PFIZER INC. (US) 1984-07-04 EP disclosed
US-4448971-A Hypoglycemic 5-phenyl-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1984-05-15 US disclosed
US-4407811-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1983-10-04 US disclosed
US-4399296-A TRIMETHYLSILYL CYANOHYDRIN INTERMEDIATES PFIZER INC. (US) 1983-08-16 US disclosed
US-4367234-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1983-01-04 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 (4 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-20070179060-A1 6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC ERN1 4793/4885ALDH1A1 1065/4885KDM4E 672/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B ERN1 4404/4885ALDH1A1 1488/4885KDM4E 1616/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV ERN1 1085/4885ALDH1A1 1863/4885KDM4E 3122/4885
US-20140303248-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF NLN, INA, TRPV1 ERN1 1346/4885ALDH1A1 1015/4885KDM4E 2946/4885

“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.