SCHEMBL244289

SCHEMBL244289

N#CC1=C(Cl)C(=O)C(Cl)=C(C#N)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
CES1 P23141 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL12500062 0.85 MEN1 (0.39) CES2BCHEACHECES1MEN1
SCHEMBL1387747 0.85 CES2 (0.44) CES2BCHEACHECES1MEN1
SCHEMBL12954420 0.79 KDM4E (0.30) CES2BCHEACHECES1MEN1
SCHEMBL375015 0.79 MEN1 (0.47) CES2BCHEACHECES1MEN1
Water SCHEMBL28189365 0.79 MEN1 (0.47) CES2BCHEACHECES1MEN1
SCHEMBL2952 0.79 MEN1 (0.47) CES2BCHEACHECES1MEN1
SCHEMBL615573 0.77 MEN1 (0.31) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL28071586 0.77 CES2 (0.44) CES2BCHEACHECES1MEN1
Hydrochloric Acid SCHEMBL8130707 0.77 CES2 (0.44) CES2BCHEACHECES1MEN1
SCHEMBL9196667 0.74 CES2 (0.42) CES2BCHEACHECES1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805398-A Preparation method of ecteinascidin compound 江苏恒瑞医药股份有限公司 2022-07-29 CN claimed
US-20230227393-A1 IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES THE UNIVERSITY OF HONG KONG (CN) 2023-07-20 US disclosed
US-11584717-B2 MIF modulators YALE UNIVERSITY (US) 2023-02-21 US disclosed
CN-113135855-B Preparation method of papaverine compound 江苏恒瑞医药股份有限公司 2023-01-24 CN disclosed
CN-114805398-A Preparation method of ecteinascidin compound 江苏恒瑞医药股份有限公司 2022-07-29 CN disclosed
CN-113135855-A Preparation method of papaverine compound 江苏恒瑞医药股份有限公司 2021-07-20 CN disclosed
WO-2021057998-A1 PREPARATION METHOD FOR PYRROLOAMINOPYRIDAZINONE COMPOUND 上海森辉医药有限公司 2021-04-01 WO disclosed
US-20200377457-A1 MIF MODULATORS UNIV YALE (US) 2020-12-03 US disclosed
US-20190270706-A1 MIF MODULATORS UNIV YALE (US) 2019-09-05 US disclosed
US-10202343-B2 MIF modulators YALE UNIVERSITY (US) 2019-02-12 US disclosed
EP-1737841-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF AS ADENOSINE ANTAGONISTS Astellas Pharma Inc. (JP) 2007-01-03 EP disclosed
US-20060083890-A1 Two-photon absorption decolorizable material, two-photon absorption refractive index modulation material, two-photon absorption polymerization material, two-photon absorption polymerization method and three-dimensional optical recording material FUJI PHOTO FILM CO., LTD. (JP) 2006-04-20 US disclosed
US-20060057467-A1 Hologram recording material and hologram recording method FUJI PHOTO FILM CO., LTD. 2006-03-16 US disclosed
WO-2005095384-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF AS ADENOSINE ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2005-10-13 WO disclosed
US-20050058910-A1 Hologram recording method and hologram recording material FUJI PHOTO FILM CO., LTD. 2005-03-17 US disclosed
US-20050046915-A1 Hologram recording material composition, hologram recording material and hologram recording method FUJI PHOTO FILM CO., LTD. 2005-03-03 US disclosed
EP-1510862-A2 Hologram recording method and hologram recording material Fuji Photo Film Co., Ltd. (JP) 2005-03-02 EP disclosed
EP-1508833-A2 Hologram recording material composition, hologram recording material and hologram recording method FUJI PHOTO FILM CO., LTD. (JP) 2005-02-23 EP disclosed
US-20050003133-A1 Two-photon absorbing optical recording material and two-photon absorbing optical recording and reproducing method FUJI PHOTO FILM CO., LTD. 2005-01-06 US disclosed
US-20040245432-A1 Two-photon absorbing polymerization method, two-photon absorbing optical recording material and two-photon absorbing optical recording method FUJI PHOTO FILM CO., LTD. 2004-12-09 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 (5 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-11584717-B2 MIF modulators MIF, HMGB2, HMGB3 CES2 3336/4885BCHE 4641/4885ACHE 4704/4885
US-20230227393-A1 IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES NFE2L2, DUOX1, DUOX2 CES2 2599/4885BCHE 1262/4885ACHE 1283/4885
US-20200377457-A1 MIF MODULATORS MIF, HMGB2, HMGB3 CES2 3336/4885BCHE 4641/4885ACHE 4704/4885
US-10202343-B2 MIF modulators MIF, HMGB2, HMGB3 CES2 3336/4885BCHE 4641/4885ACHE 4704/4885
US-20190270706-A1 MIF MODULATORS MIF, HMGB2, HMGB3 CES2 3336/4885BCHE 4641/4885ACHE 4704/4885

“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.