SCHEMBL4042945

SCHEMBL4042945

COC1CCCC/C1=N\O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
AKR1C3 P42330 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL5912747 1.00 ALDH1A1 (0.37) ALDH1A1KDM4EUSP2LMNAPOLB
SCHEMBL4042946 1.00 ALDH1A1 (0.37) ALDH1A1KDM4EUSP2LMNAPOLB
SCHEMBL5912720 0.98 ALDH1A1 (0.36) ALDH1A1KDM4EUSP2LMNAPOLB
SCHEMBL5912761 0.98 ALDH1A1 (0.36) ALDH1A1KDM4EUSP2LMNAPOLB
SCHEMBL5912156 0.98 ALDH1A1 (0.36) ALDH1A1KDM4EUSP2LMNAPOLB
SCHEMBL5912868 0.98 ALDH1A1 (0.36) ALDH1A1KDM4EUSP2LMNAPOLB
SCHEMBL5912744 0.98 ALDH1A1 (0.36) ALDH1A1KDM4EUSP2LMNAPOLB
SCHEMBL5912200 0.98 ALDH1A1 (0.36) ALDH1A1KDM4EUSP2LMNAPOLB
SCHEMBL5912740 0.98 ALDH1A1 (0.36) ALDH1A1KDM4EUSP2LMNAPOLB
SCHEMBL5912098 0.98 ALDH1A1 (0.36) ALDH1A1KDM4EUSP2LMNAPOLB

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545636-B2 Acyclic lipids and methods of use thereof RENAGADE THERAPEUTICS MANAGEMENT INC. (US) 2026-02-10 US disclosed
CN-118317944-A Acyclic lipids and methods of use thereof 雷纳嘉德医疗管理公司 2024-07-09 CN disclosed
US-20230331657-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS BEAM THERAPEUTICS INC. 2023-10-19 US disclosed
US-20230331657-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS BEAM THERAPEUTICS INC. 2023-10-19 US disclosed
US-20230202966-A1 ACYCLIC LIPIDS AND METHODS OF USE THEREOF RENAGADE THERAPEUTICS MANAGEMENT INC. 2023-06-29 US disclosed
US-20230202966-A1 ACYCLIC LIPIDS AND METHODS OF USE THEREOF RENAGADE THERAPEUTICS MANAGEMENT INC. 2023-06-29 US disclosed
US-20230202966-A1 ACYCLIC LIPIDS AND METHODS OF USE THEREOF RENAGADE THERAPEUTICS MANAGEMENT INC. 2023-06-29 US disclosed
WO-2022140252-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS BEAM THERAPEUTICS INC. (US) 2022-06-30 WO disclosed
US-20210230112-A1 NANOMATERIALS GUIDE THERAPEUTICS, LLC 2021-07-29 US disclosed
EP-1409468-B9 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-29 EP disclosed
EP-1409468-B1 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-11-12 EP disclosed
US-6995269-B2 Guanidinobenzamides CHIRON CORPORATION (US) 2006-02-07 US disclosed
EP-1409468-A2 GUANIDINOBENZAMIDES AS MC4-R AGONISTS CHIRON CORPORATION (US) 2004-04-21 EP disclosed
US-6638927-B2 Melanocortin-4 receptor (MC4-R) agonists; treating obesity or diabetes; 4-((N-cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino)-N-(2-(2,4 -dichlorophenyl) -ethyl)-benzamide for example CHIRON CORPORATION 2003-10-28 US disclosed
US-20030199499-A1 Novel guanidinobenzamides CHIRON CORPORATION 2003-10-23 US disclosed
US-20020137939-A1 Melanocortin-4 receptor (MC4-R) agonists; treating obesity or diabetes; 4-((N-cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino)-N-(2-(2,4 -dichlorophenyl)-ethyl)-benzamide for example CHIRON CORPORATION 2002-09-26 US disclosed
WO-2002018327-A2 GUANIDINOBENZAMIDES AS MC4-R AGONISTS CHIRON CORPORATION (US) 2002-03-07 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 (6 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-20210230112-A1 NANOMATERIALS NPC1, NPC1L1, FABP1 ALDH1A1 984/4885KDM4E 4299/4885USP2 4124/4885
US-12545636-B2 Acyclic lipids and methods of use thereof PLTP, LNPEP, PCTP ALDH1A1 4885/4885KDM4E 4469/4885USP2 1680/4885
US-20030199499-A1 Novel guanidinobenzamides GUCY1B2, GPR119, GUCY1B1 ALDH1A1 1371/4885KDM4E 686/4885USP2 2774/4885
US-20230331657-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS LIPA, SGMS1, SGMS2 ALDH1A1 331/4885KDM4E 1523/4885USP2 1129/4885
US-20020137939-A1 Melanocortin-4 receptor (MC4-R) agonists; treating obesity or diabetes; 4-((N-cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino)-N-(2-(2,4 -dichlorophenyl)-ethyl)-benzamide for example MC4R, MC5R, MC3R ALDH1A1 2079/4885KDM4E 493/4885USP2 3684/4885
US-20230202966-A1 ACYCLIC LIPIDS AND METHODS OF USE THEREOF SGMS1, SGMS2, ABHD16A ALDH1A1 4878/4885KDM4E 4720/4885USP2 2521/4885

“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.