SCHEMBL1226440

SCHEMBL1226440

CNC1(C(=O)O)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR3 O14843 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.33
AKR1C1 Q04828 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
FABP4 P15090 3/20 0.31
FABP5 Q01469 3/20 0.31
CTSL P07711 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MME P08473 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
Hydrochloric Acid SCHEMBL1162145 0.97 KDM4E (0.40) KDM4EKMT2AFFAR3CYP1A2CYP2C19
SCHEMBL2837316 0.97 KMT2A (0.40) KDM4EKMT2AFFAR3CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL1226467 0.95 KMT2A (0.39) KDM4EKMT2AFFAR3CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL1226520 0.95 KMT2A (0.39) KDM4EKMT2AFFAR3CYP1A2CYP2C19
Bromide SCHEMBL16057314 0.95 KMT2A (0.39) KDM4EKMT2AFFAR3CYP1A2CYP2C19
SCHEMBL805255 0.94
Hydrochloric Acid SCHEMBL29279740 0.92 KDM4E (0.40) KDM4EKMT2AFFAR3CYP1A2CYP2C19
SCHEMBL410868 0.88
Hydrochloric Acid SCHEMBL1661800 0.86
SCHEMBL7806892 0.81 KDM4E (0.40) KDM4EKMT2ACYP1A2ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114729006-A Cyclic peptide compounds having Kras inhibitory activity 中外制药株式会社 2022-07-08 CN claimed
US-20100184814-A1 Ester Derivatives of Losartan, Methods for Their Preparation, and Uses Thereof WANG JIANMIN 2010-07-22 US claimed
EP-0678503-B1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities NOVARTIS AG (CH) 1999-09-01 EP claimed
EP-3928779-B1 PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR AND PHOSPHORUS ADSORBENT FOR USE IN THE PREVENTION, TREATMENT OR SUPPRESSION OF CHRONIC KIDNEY DISEASE, ARTERIOSCLEROSIS ASSOCIATED WITH VASCULAR CALCIFICATION, OR ECTOPIC CALCIFICATION. CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-03-06 EP disclosed
US-11597699-B2 MEK inhibitors and methods of their use EXELIXIS, INC. (US) 2023-03-07 US disclosed
US-20230026641-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND COMPRISING HIGHLY STERICALLY HINDERED AMINO ACID CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-01-26 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-114729006-A Cyclic peptide compounds having Kras inhibitory activity 中外制药株式会社 2022-07-08 CN disclosed
CN-109053523-B Azetidines as MEK inhibitors for the treatment of proliferative diseases 埃克塞利希斯股份有限公司 2022-03-25 CN disclosed
CN-111643496-A Methods of using MEK inhibitors 埃克塞利希斯股份有限公司 2020-09-11 CN disclosed
US-20200283383-A1 MEK Inhibitors and Methods of Their Use EXELIXIS, INC. 2020-09-10 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2008020902-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-02-21 WO disclosed
WO-2007133491-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-11-22 WO disclosed
US-20070197511-A1 Neuroprotective bicyclic compouds and methods for their use NEUREN PHARMACEUTICALS LIMITED (NZ) 2007-08-23 US disclosed
WO-2007044515-A1 AZETIDINES AS MEK INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2007-04-19 WO disclosed
US-7030114-B1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2006-04-18 US disclosed
EP-0994895-A1 DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-04-26 EP disclosed
WO-1999006435-A1 DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed
US-3746495-A ANTI-ULCER THERAPY AMERICAN HOME PROD 1973-07-17 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-20200283383-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 KDM4E 1252/4885KMT2A 1789/4885FFAR3 2897/4885
US-20230026641-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND COMPRISING HIGHLY STERICALLY HINDERED AMINO ACID DNPEP, VIP, NPEPPS KDM4E 4275/4885KMT2A 2469/4885FFAR3 1710/4885
US-20100184814-A1 Ester Derivatives of Losartan, Methods for Their Preparation, and Uses Thereof REN, ACE, AGTR1 KDM4E 3606/4885KMT2A 4665/4885FFAR3 148/4885
US-20070197511-A1 Neuroprotective bicyclic compouds and methods for their use NLN, GAP43, BAD KDM4E 2696/4885KMT2A 2610/4885FFAR3 3095/4885
US-11597699-B2 MEK inhibitors and methods of their use BRAF, NRAS, MAP3K20 KDM4E 1252/4885KMT2A 1789/4885FFAR3 2897/4885

“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.