SCHEMBL29544944

SCHEMBL29544944

CN(C)C(On1nnc2ccccc21)=[N+](C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.49
HDAC3 O15379 3/20 0.48
HDAC4 P56524 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC11 Q96DB2 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
DGAT1 O75907 1/20 0.41
SLC9A1 P19634 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL118552 1.00 SIRT2 (0.49) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5090302 0.99 SIRT2 (0.48) SIRT2HDAC3HDAC4HDAC1HDAC7
Bromide SCHEMBL5514450 0.99 SIRT2 (0.48) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL30056078 0.99 SIRT2 (0.48) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15769691 0.99 SIRT2 (0.48) SIRT2HDAC3HDAC4HDAC1HDAC7
Fluoride Ion SCHEMBL4594160 0.99 SIRT2 (0.48) SIRT2HDAC3HDAC4HDAC1HDAC7
Fluoride SCHEMBL28343187 0.97 SIRT2 (0.47) SIRT2HDAC3HDAC4HDAC1HDAC7
Fluoride Ion SCHEMBL15769690 0.97 SIRT2 (0.47) SIRT2HDAC3HDAC4HDAC1HDAC7
Fluoride SCHEMBL15769692 0.96 SIRT2 (0.46) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL23045030 0.95 SIRT2 (0.45) SIRT2HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739339-A1 IMMUNOTHERAPY FOR THE TREATMENT OF PRAME-EXPRESSING CANCERS Focus Fund-Isa LLC (US) 2026-05-13 EP disclosed
EP-4731212-A1 COMBINATION THERAPIES OF FASN INHIBITORS WITH THYROID HORMONE RECEPTOR AGONISTS Sagimet Biosciences Inc. (US) 2026-04-29 EP disclosed
EP-4601685-A1 MODIFIED LONG PEPTIDES SUITABLE FOR USE IN IMMUNISATION Isabella Pharma B.V. (NL) 2025-08-20 EP disclosed
EP-4551566-A1 NEW SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS Les Laboratoires Servier (FR) 2025-05-14 EP disclosed
WO-2025008085-A1 IMMUNOTHERAPY FOR THE TREATMENT OF PRAME-EXPRESSING CANCERS ISA PHARMACEUTICALS B.V. (NL) 2025-01-09 WO disclosed
WO-2024263785-A1 COMBINATION THERAPIES OF FASN INHIBITORS WITH THYROID HORMONE RECEPTOR AGONISTS SAGIMET BIOSCIENCES INC. (US) 2024-12-26 WO disclosed
US-20240158768-A1 ANTI-INFLAMMATORY PEPTIDES AND COMPOSITION COMPRISING THE SAME GEMVAX & KAEL CO., LTD. (KR) 2024-05-16 US disclosed
WO-2024079311-A1 MODIFIED LONG PEPTIDES SUITABLE FOR USE IN IMMUNISATION ISA PHARMACEUTICALS B.V. (NL) 2024-04-18 WO disclosed
WO-2024008941-A1 NEW SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2024-01-11 WO disclosed
EP-4277892-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS Les Laboratoires Servier (FR) 2023-11-22 EP disclosed
EP-4232189-A1 NANOFILTRATION ASSISTED METHODS OF CHEMICAL SYNTHESIS Bachem AG (CH) 2023-08-30 EP disclosed
EP-4100051-A2 TREATMENT OF HPV-RELATED DISEASES ISA Pharmaceuticals B.V. (NL) 2022-12-14 EP disclosed
US-20220340556-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2022-10-27 US disclosed
WO-2022152705-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-07-21 WO disclosed
EP-4017850-A1 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-29 EP disclosed
EP-4017849-A1 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-29 EP disclosed
EP-4017587-A1 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-29 EP disclosed
EP-4010333-A1 PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-15 EP disclosed
WO-2022084441-A1 NANOFILTRATION ASSISTED METHODS OF CHEMICAL SYNTHESIS BACHEM AG (CH) 2022-04-28 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 (2 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-20220340556-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 SIRT2 761/4885HDAC3 613/4885HDAC4 740/4885
US-20240158768-A1 ANTI-INFLAMMATORY PEPTIDES AND COMPOSITION COMPRISING THE SAME IL1B, IL1A, TNF SIRT2 4142/4885HDAC3 4154/4885HDAC4 3795/4885

“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.