SCHEMBL6137050

SCHEMBL6137050

OC(CBr)CC1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 4/20 0.34
TP53 P04637 2/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 3/20 0.33
HTT P42858 2/20 0.33
PER2 O15055 1/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ANPEP P15144 1/20 0.31
MEN1 O00255 2/20 0.31

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
SCHEMBL11782848 0.86 USP2 (0.36) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL7639692 0.80 USP2 (0.37) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL6419144 0.80 USP2 (0.41) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL11025614 0.79 USP2 (0.34) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL23501590 0.76 USP2 (0.37) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL8863690 0.76 USP2 (0.37) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL11024768 0.73 USP2 (0.39) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL8208318 0.73
SCHEMBL241360 0.72
SCHEMBL4888352 0.72 USP2 (0.41) USP2SMN1; SMN2HPGDTP53ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1120409-B1 2,3-DISUBSTITUTED PYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, DRUG COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION DAINIPPON PHARMACEUTICAL CO (JP) 2005-01-26 EP disclosed
US-6765095-B2 HETEROCYCLIC IMINES SUCH AS 2-PHENOXY-3-(3-(PYRIDIN-4-YL)-PROPOXY)PYRIDINE, FORMED BY ETHERIFICATION, AMINATION OR SULIFIDING, FOR USE AS PHOSPHODIESTERASE INHIBITORS DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2004-07-20 US disclosed
US-6683186-B2 CONDENSATION, ETHERIFICATION; PHOSPHODIESTERASE INHIBITORS; ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2004-01-27 US disclosed
US-20030199554-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor KAWASAKI MOTOJI (JP) 2003-10-23 US disclosed
US-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor KAWASAKI MOTOJI (JP) 2003-10-16 US disclosed
US-6555557-B1 2-(3-chlorophenoxy)-3-(3-(3-hydroxypyridin-5-yl)propoxy) -pyridine, for example; phosphodiesterase IV inhibitors DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-29 US disclosed
EP-1120409-A1 2,3-DISUBSTITUTED PYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, DRUG COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION Dainippon Pharmaceutical Co., Ltd. (JP) 2001-08-01 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 (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-20030199554-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 USP2 2633/4885SMN1; SMN2 2255/4885HPGD 187/4885
US-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 USP2 2633/4885SMN1; SMN2 2255/4885HPGD 187/4885

“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.