SCHEMBL166433

SCHEMBL166433

O=C(O)NCCN1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
TSHR P16473 1/20 0.55
CD274 Q9NZQ7 2/20 0.55
POLB P06746 2/20 0.55
HPGD P15428 1/20 0.55
GLA P06280 1/20 0.55
ALDH1A1 P00352 1/20 0.54
HTR1A P08908 1/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
KCNH2 Q12809 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 1/20 0.53
LMNA P02545 1/20 0.52

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
Hydrochloric Acid SCHEMBL5657522 0.98 GLA (0.58) TDP1CA12CA1CA2CA9
Formic Acid SCHEMBL3265060 0.93 TDP1 (0.53) TDP1CA12CA1CA2CA9
SCHEMBL16932573 0.89 SMN1; SMN2 (0.51) TDP1CA12CA1CA2CA9
SCHEMBL76649 0.89 GAA (0.68) TSHRPOLBHPGDALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5658003 0.87 GAA (0.66) TSHRPOLBHPGDGLAALDH1A1
Cyclohexanol SCHEMBL9499559 0.86 EPHX1 (0.52) TDP1TSHRALDH1A1GAA
SCHEMBL30522606 0.86 TDP1 (0.75) TDP1CA12CA1CA2CA9
SCHEMBL3897267 0.86 SMN1; SMN2 (0.60) TDP1CA12CA1CA2CA9
SCHEMBL14237141 0.86 TDP1 (0.60) TDP1CA12CA1CA2CA9
SCHEMBL21065340 0.85 CA12 (0.48) CA12CA1CA2CA9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024107753-A2 TREATMENT OF ASCT2-DEPENDENT CANCERS NEUPHARMA, INC (US) 2024-05-23 WO claimed
US-10912784-B2 Certain chemical entities, compositions, and methods SUZHOU NEUPHARMA CO., LTD. (CN) 2021-02-09 US claimed
EP-3296313-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS SUZHOU NEUPHARMA CO LTD (CN) 2020-12-16 EP claimed
US-20200354398-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-11-12 US claimed
EP-3453714-B1 CARDENOLIDE AND BUFADIENOLIDE 3-CARBONATE AND 3-CARBAMATE DERIVATIVES FOR THE TREATMENT OF CANCER AND COMPOSITIONS THEREOF SUZHOU NEUPHARMA CO LTD (CN) 2020-11-04 EP claimed
US-10766920-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-09-08 US claimed
US-20200085846-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS SUZHOU NEUPHARMA CO., LTD. (CN) 2020-03-19 US claimed
US-20200024303-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-01-23 US claimed
US-10344048-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2019-07-09 US claimed
EP-3453714-A2 CARDENOLIDE AND BUFADIENOLIDE 3-CARBONATE AND 3-CARBAMATE DERIVATIVES FOR THE TREATMENT OF CANCER AND COMPOSITIONS THEREOF Suzhou Neupharma Co., Ltd (CN) 2019-03-13 EP claimed
CN-103619865-A Certain chemical entities, compositions, and methods SUZHOU NEUPHARMA CO LTD 2014-03-05 CN claimed
US-8614211-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2013-12-24 US claimed
US-20130040945-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2013-02-14 US claimed
WO-2013023145-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-02-14 WO claimed
US-20120196842-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2012-08-02 US claimed
WO-2012027957-A1 BUFALIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SUZHOU NEUPHARMA CO., LTD. (CN) 2012-03-08 WO claimed
EP-1515724-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-10-21 EP claimed
US-20050009809-A1 Aryl- and heteroaryl-substituted piperazinylcarbonyl acridines and their homologs, e.g., (1,3-dihydroxyacridin-9-yl)-[4-(6-methyl pyridin-2-yl )piperazin-1-yl]methanone,are suitable for treating benign and malignant tumors ZENTARIS GMBH (DE) 2005-01-13 US claimed
WO-1999012532-A2 PIPERIDINE DERIVATIVES AGAINST MALARIA F.HOFFMANN-LA ROCHE AG (CH) 1999-03-18 WO claimed
EP-0671388-B1 (Pyrrolidinyl)phenyl carbamates and intermediate compounds, processes for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-06-10 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20200354398-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 TDP1 1779/4885CA12 271/4885CA1 2558/4885
US-20050009809-A1 Aryl- and heteroaryl-substituted piperazinylcarbonyl acridines and their homologs, e.g., (1,3-dihydroxyacridin-9-yl)-[4-(6-methyl pyridin-2-yl )piperazin-1-yl]methanone,are suitable for treating benign and malignant tumors PKD1, MDH2, MSH2 TDP1 2467/4885CA12 4871/4885CA1 4876/4885
US-10912784-B2 Certain chemical entities, compositions, and methods UGT2B7, BCCIP, ABCG2 TDP1 2144/4885CA12 941/4885CA1 2824/4885
US-20120196842-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 TDP1 1779/4885CA12 271/4885CA1 2558/4885
US-10766920-B2 Certain chemical entities, compositions, and methods TP53, VHL, SGMS2 TDP1 1779/4885CA12 271/4885CA1 2558/4885
US-20200024303-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 TDP1 1779/4885CA12 271/4885CA1 2558/4885
US-20200085846-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS UGT2B7, BCCIP, ABCG2 TDP1 2144/4885CA12 941/4885CA1 2824/4885
US-20130040945-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS RXRG, ARNT, RARS2 TDP1 4037/4885CA12 986/4885CA1 2686/4885
US-10344048-B2 Certain chemical entities, compositions, and methods TP53, VHL, SGMS2 TDP1 1779/4885CA12 271/4885CA1 2558/4885

“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.