SCHEMBL1313231

SCHEMBL1313231

O=C(O)NCC1(O)CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.44
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX7 Q99572 15/20 0.34
OPRM1 P35372 1/20 0.33
NPFFR1 Q9GZQ6 1/20 0.32
NPFFR2 Q9Y5X5 1/20 0.32

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 SCHEMBL19995691 0.98 SMYD3 (0.43) SMYD3KDM4EKMT2AP2RX7OPRM1
SCHEMBL17606550 0.88 SMYD3 (0.37) SMYD3P2RX7
SCHEMBL4793570 0.88 SMYD3 (0.37) SMYD3P2RX7
SCHEMBL9990128 0.84
SCHEMBL21551515 0.83 SMYD3 (0.44) SMYD3KDM4EKMT2AP2RX7NPFFR1
SCHEMBL21551513 0.82 SMYD3 (0.43) SMYD3KDM4EKMT2AP2RX7OPRM1
SCHEMBL28543808 0.82 SMYD3 (0.43) SMYD3KDM4EKMT2AP2RX7OPRM1
SCHEMBL28521208 0.80 P2RX7 (0.39) P2RX7
SCHEMBL7820091 0.80 OPRM1 (0.41) SMYD3KDM4EKMT2AP2RX7OPRM1
SCHEMBL17623928 0.79 SMYD3 (0.38) SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468953-B1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE IP DEV LTD (GB) 2024-05-22 EP disclosed
US-11952386-B2 N-azaspirocycloalkane substituted N-heteroaryl compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2024-04-09 US disclosed
US-11945822-B2 Pyrazolo-triazine and/or pyrazolo-pxrimidine derivatives as selective inhibitor of cyclin dependent kinase QURIENT CO., LTD. (KR) 2024-04-02 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-3515916-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2023-06-07 EP disclosed
US-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 EP disclosed
US-11597733-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2023-03-07 US disclosed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 US disclosed
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 EP disclosed
US-7705020-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC. (US) 2010-04-27 US disclosed
US-7595329-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC (US) 2009-09-29 US disclosed
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives PFIZER INC 2008-05-08 US disclosed
EP-1758891-A2 BENZIMIDAZOLONE CARBOXYLIC ACID DERIVATIVES Pfizer Japan Inc. (JP) 2007-03-07 EP disclosed
WO-2005123718-A2 BENZIMIDAZOLONE CARBOXYLIC ACID DERIVATIVES PFIZER JAPAN INC. (JP) 2005-12-29 WO disclosed
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives PFIZER INC 2005-12-15 US disclosed
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives PFIZER INC 2005-12-15 US disclosed
US-20050277673-A1 Benzimidazolone carboxylic acid derivatives PFIZER JAPAN INC. (JP) 2005-12-15 US disclosed
EP-1122254-B1 4-Sulfonamide piperidine derivatives, method for their preparation and phamaceutical compositions containing them SERVIER LAB (FR) 2005-04-27 EP disclosed
EP-1122254-A2 4-Sulfonamide piperidine derivatives, method for their preparation and phamaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-08-08 EP 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 (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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 SMYD3 4310/4885KDM4E 3591/4885KMT2A 3310/4885
US-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 SMYD3 2963/4885KDM4E 3027/4885KMT2A 4067/4885
US-20050277673-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 SMYD3 2944/4885KDM4E 3571/4885KMT2A 4076/4885
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 SMYD3 2944/4885KDM4E 3571/4885KMT2A 4076/4885
US-11952386-B2 N-azaspirocycloalkane substituted N-heteroaryl compounds and compositions for inhibiting the activity of SHP2 PTPN5, PTPN1, PTPN7 SMYD3 2541/4885KDM4E 937/4885KMT2A 654/4885
US-11597733-B2 Compounds and compositions for the treatment of parasitic diseases ABCB11, SQLE, FURIN SMYD3 2164/4885KDM4E 1863/4885KMT2A 1436/4885
US-11945822-B2 Pyrazolo-triazine and/or pyrazolo-pxrimidine derivatives as selective inhibitor of cyclin dependent kinase CDK15, CDK1, CDK2 SMYD3 4269/4885KDM4E 2245/4885KMT2A 2240/4885
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 SMYD3 2944/4885KDM4E 3571/4885KMT2A 4076/4885
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives HRH2, HRH4, GPR4 SMYD3 2914/4885KDM4E 3540/4885KMT2A 3974/4885

“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.