SCHEMBL169175

SCHEMBL169175

O=C(O)NCCN1CCNCC1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
RAB9A P51151 3/20 0.42
TSHR P16473 1/20 0.40
SCN9A Q15858 1/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
NTRK1 P04629 1/20 0.36
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
CREBBP Q92793 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F10 P00742 1/20 0.31
HTR4 Q13639 1/20 0.31
NPC1 O15118 2/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL30311762 0.91 RAB9A (0.40) KMT2ARAB9ATSHRALDH1A1LMNA
SCHEMBL30923342 0.86 KMT2A (0.40) KMT2ARAB9ATSHRSCN9AKDM4E
SCHEMBL25045119 0.79 DRD2 (0.42) KMT2ASCN9AALDH1A1MEN1GAA
SCHEMBL5337457 0.78 JAK2 (0.34) F10
SCHEMBL22905710 0.78 KMT2A (0.37) KMT2ARAB9ASCN9AALDH1A1
SCHEMBL5452980 0.78 KDM4E (0.38) KMT2ATSHRKDM4EALDH1A1MEN1
SCHEMBL5654310 0.78 KMT2A (0.62) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL26746599 0.78 KMT2A (0.43) KMT2ARAB9ATSHRSCN9AKDM4E
SCHEMBL30500900 0.78 GAA (0.56) KMT2ALMNAMEN1GAAL3MBTL1
SCHEMBL24796321 0.77 KMT2A (0.36) KMT2ARAB9ATSHRSCN9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354398-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-11-12 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
US-20170088580-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2017-03-30 US claimed
CN-103619865-A Certain chemical entities, compositions, and methods SUZHOU NEUPHARMA CO LTD 2014-03-05 CN claimed
CN-102656179-A Bufalin derivatives, pharmaceutical compositions and uses thereof SUZHOU NEUPHARMA CO LTD 2012-09-05 CN 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-4385988-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2024-06-19 EP disclosed
US-20240000950-A1 THERAPEUTIC CURE-PRO COMPOUNDS FOR TARGETED DEGRADATION OF BET DOMAIN PROTEINS, AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY 2024-01-04 US disclosed
US-20230285570-A1 THERAPEUTICALLY USEFUL CURE-PRO MOLECULES FOR E3 LIGASE MEDIATED DEGRADATION OF PROTEINS, AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY 2023-09-14 US disclosed
US-20230277553-A1 THERAPEUTIC COMPOSITION OF CURE-PRO COMPOUNDS FOR TARGETED DEGRADATION OF BET DOMAIN PROTEINS, AND METHODS OF MAKING AND USAGE CORNELL UNIVERSITY 2023-09-07 US disclosed
EP-3654968-B1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-08-16 EP disclosed
EP-4192825-A2 THERAPEUTICALLY USEFUL CURE-PRO MOLECULES FOR E3 LIGASE MEDIATED DEGRADATION OF PROTEINS, AND METHODS OF MAKING AND USING THEM Cornell University (US) 2023-06-14 EP disclosed
WO-2019018186-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2019-01-24 WO disclosed
US-20180222862-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2018-08-09 US disclosed
EP-3334733-A1 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Pfizer Inc (US) 2018-06-20 EP disclosed
WO-2017025868-A1 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PFIZER INC. (US) 2017-02-16 WO disclosed
US-9018197-B2 Tetradecahydro-1H-cyclopenta[a]phenanthrene compounds, compositions, and related methods of use SUZHOU NEUPHARMA CO. LTD. (CN) 2015-04-28 US disclosed
CN-102656179-A Bufalin derivatives, pharmaceutical compositions and uses thereof SUZHOU NEUPHARMA CO LTD 2012-09-05 CN disclosed
WO-2012027957-A1 BUFALIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SUZHOU NEUPHARMA CO., LTD. (CN) 2012-03-08 WO 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 (7 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 KMT2A 2329/4885RAB9A 2171/4885TSHR 4621/4885
US-20170088580-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 KMT2A 2329/4885RAB9A 2171/4885TSHR 4621/4885
US-20240000950-A1 THERAPEUTIC CURE-PRO COMPOUNDS FOR TARGETED DEGRADATION OF BET DOMAIN PROTEINS, AND METHODS OF MAKING AND USING THEM BET1, BRD4, BAZ2A KMT2A 848/4885RAB9A 2915/4885TSHR 3599/4885
US-20120196842-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 KMT2A 2329/4885RAB9A 2171/4885TSHR 4621/4885
US-20230285570-A1 THERAPEUTICALLY USEFUL CURE-PRO MOLECULES FOR E3 LIGASE MEDIATED DEGRADATION OF PROTEINS, AND METHODS OF MAKING AND USING THEM XIAP, CUL4A, CUL1 KMT2A 1372/4885RAB9A 3063/4885TSHR 4286/4885
US-20180222862-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 KMT2A 3193/4885RAB9A 3836/4885TSHR 3126/4885
US-20230277553-A1 THERAPEUTIC COMPOSITION OF CURE-PRO COMPOUNDS FOR TARGETED DEGRADATION OF BET DOMAIN PROTEINS, AND METHODS OF MAKING AND USAGE BET1, BRD4, PHKB KMT2A 1071/4885RAB9A 3432/4885TSHR 3746/4885

“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.