SCHEMBL375015

SCHEMBL375015

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CES2 O00748 2/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
CES1 P23141 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
RECQL P46063 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL2952 1.00 MEN1 (0.47) MEN1KMT2ACES2BCHEACHE
Water SCHEMBL28189365 1.00 MEN1 (0.47) MEN1KMT2ACES2BCHEACHE
Hydrochloric Acid SCHEMBL8130707 0.97 CES2 (0.44) MEN1KMT2ACES2BCHEACHE
SCHEMBL28071586 0.97 CES2 (0.44) MEN1KMT2ACES2BCHEACHE
SCHEMBL9196667 0.94 CES2 (0.42) MEN1KMT2ACES2BCHEACHE
Methylene Chloride SCHEMBL28153470 0.92 CES2 (0.40) MEN1KMT2ACES2BCHEACHE
Acetonitrile SCHEMBL29137992 0.92 CES2 (0.40) MEN1KMT2ACES2BCHEACHE
Benzoquinone SCHEMBL5262501 0.87 BCHE (0.38) MEN1KMT2ACES2BCHEACHE
SCHEMBL10296285 0.87 CES2 (0.36) MEN1KMT2ACES2BCHEACHE
SCHEMBL383049 0.86 CES2 (0.45) MEN1KMT2ACES2BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307518-A Polycyclic PARP selective inhibitors 轩竹生物科技股份有限公司 2024-07-09 CN disclosed
CN-117924310-A Macrocyclic compounds and uses thereof 哈佛大学的校长及成员们 2024-04-26 CN disclosed
CN-112752760-B Heterocyclic compounds 武田药品工业株式会社 2024-01-19 CN disclosed
CN-111566113-B Macrocyclic compounds and uses thereof 哈佛大学的校长及成员们 2024-01-09 CN disclosed
CN-111205310-B Heterocyclic fused pyrimidine derivative, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2023-12-19 CN disclosed
CN-114957354-B Heparin pentasaccharide structure compound 南开大学 2023-11-24 CN disclosed
CN-115109111-B Production process of progestogen 天津市中升挑战生物科技有限公司 2023-10-24 CN disclosed
CN-116854752-A Heparin trisaccharide structure compound and pharmaceutical application thereof 南开大学 2023-10-10 CN disclosed
CN-116761605-A Salts and crystalline forms of HA inhibitor compounds 四川海思科制药有限公司 2023-09-15 CN disclosed
CN-116672350-A Application of heparin pentasaccharide compound in preparation of medicament for treating viral hemorrhagic fever 南开大学 2023-09-01 CN disclosed
WO-2016144848-A1 PYRROLOTRIAZINE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-09-15 WO disclosed
US-20150061457-A1 ACTUATOR ELEMENT USING CARBON ELECTRODE NATIONAL INSTITUTE OF ADVANCE INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2015-03-05 US disclosed
EP-2833542-A1 ACTUATOR ELEMENT USING CARBON ELECTRODE National Institute Of Advanced Industrial Science (JP) 2015-02-04 EP disclosed
EP-2049563-B1 DIMERIC IAP ANTAGONISTS TETRALOGIC PHARM CORP (US) 2014-03-12 EP disclosed
EP-2409984-A1 Dimeric IAP Antagonists TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2012-01-25 EP disclosed
US-7985735-B2 mimetics of the activity of the N-terminal portion of Smac/tertiary binding structure to IAPs, can be combined with chemotherapeutic agents like topoisomerase inhibitors, kinase inhibitors, NSAIDs, taxanes and platinum containing compounds; increased cell permeability, water solubility; antitumor agents TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-07-26 US disclosed
EP-2049563-A2 DIMERIC IAP ANTAGONISTS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2009-04-22 EP disclosed
WO-2008014263-A2 DIMERIC IAP ANTAGONISTS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2008-01-31 WO disclosed
US-20080020986-A1 DIMERIC IAP INHIBITORS TETRALOGIC BIRINAPANT UK LTD (GB) 2008-01-24 US disclosed
US-5262085-A FOR USE IN LIQUID CRYSTAL AND ELECTROOPTICAL DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-11-16 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 (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-20080020986-A1 DIMERIC IAP INHIBITORS BIRC2, BIRC7, BIRC8 MEN1 1628/4885KMT2A 3244/4885CES2 4762/4885

“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.