SCHEMBL3771508

SCHEMBL3771508

CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.[O-]B([O-])[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.45
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KMT2A Q03164 4/20 0.38
MAPT P10636 2/20 0.38
DGAT1 O75907 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38

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
SCHEMBL5794054 0.95 SIRT2 (0.43) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL485372 0.95 SIRT2 (0.43) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL16765691 0.95 SIRT2 (0.43) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1941414 0.95 SIRT2 (0.43) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL118552 0.95 SIRT2 (0.49) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL29544944 0.95 SIRT2 (0.49) SIRT2HDAC3HDAC4HDAC1HDAC7
Bromide SCHEMBL5514450 0.93 SIRT2 (0.48) SIRT2HDAC3HDAC4HDAC1HDAC7
Fluoride Ion SCHEMBL4594160 0.93 SIRT2 (0.48) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL30056078 0.93 SIRT2 (0.48) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15769691 0.93 SIRT2 (0.48) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851588-B2 CRFR1 selective ligands THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2010-12-14 US disclosed
US-20090149629-A1 CRFR1 SELECTIVE LIGANDS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2009-06-11 US disclosed
US-7498300-B2 Corticotropin releasing factor peptide for use in the treatment of nervous system and hypertensive disorders THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2009-03-03 US disclosed
EP-1572679-B1 CRFR1 SELECTIVE LIGANDS SALK INST FOR BIOLOGICAL STUDI (US) 2009-02-11 EP disclosed
US-7141546-B1 CRFR2 selective ligands THE SALK INSTITUTE FOR BIOLOGICIAL STUDIES (US) 2006-11-28 US disclosed
US-20040204564-A1 CRFR1 selective ligands NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-10-14 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 (1 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-20090149629-A1 CRFR1 SELECTIVE LIGANDS CRHR1, CRHR2, SSTR4 SIRT2 4171/4885HDAC3 2409/4885HDAC4 948/4885

“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.