SCHEMBL3260347

SCHEMBL3260347

Brc1ccccc1-n1cnnn1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
NPSR1 Q6W5P4 1/20 0.58
NOTUM Q6P988 2/20 0.53
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.42
F2 P00734 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL12615992 0.85 ALDH1A1 (0.68) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL30084182 0.76 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL8540440 0.76 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL7768909 0.76 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL5330184 0.76 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL28955008 0.76 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL14242848 0.76 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL436604 0.76 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL8109135 0.76 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL5549180 0.76 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US disclosed
US-7679082-B2 Multi-functional copolymers comprising rare earth metal complexes and devices thereof NATIONAL UNIVERSITY OF SINGAPORE (SG) 2010-03-16 US disclosed
US-20070290199-A1 Multi-Functional Copolymers Comprising Rare Earth Metal Complexes and Devices Thereof NATIONAL UNIVERSITY OF SINGAPORE (SG) 2007-12-20 US disclosed
EP-0788487-B1 PROCESS FOR THE PREPARATION OF TETRAZOLES NOVARTIS AG (CH) 2001-07-25 EP disclosed
CN-1039324-C Substituted azacyclo-pyrimidine compounds, their pharmaceutical salts or N-oxides, and their use as anti-inflammatory agents AMERICAN HOME PROD (US) 1998-07-29 CN disclosed
CN-1175414-A Method for preparing substd. azacyclopyrimidine compound, its pharmaceutic salt or N-oxide AMERICAN HOME PROD (US) 1998-03-11 CN disclosed
EP-0788487-A1 PROCESS FOR THE PREPARATION OF TETRAZOLES Novartis AG (CH) 1997-08-13 EP disclosed
WO-1996013489-A1 PROCESS FOR THE PREPARATION OF TETRAZOLES NOVARTIS AG (CH) 1996-05-09 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-20070290199-A1 Multi-Functional Copolymers Comprising Rare Earth Metal Complexes and Devices Thereof ZRANB2, BAZ1A, BAZ2B ALDH1A1 1961/4885NPSR1 2553/4885NOTUM 3938/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 ALDH1A1 4454/4885NPSR1 1815/4885NOTUM 1525/4885

“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.