SCHEMBL6136798

SCHEMBL6136798

Oc1cccc(Sc2ncccc2O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
RET P07949 1/20 0.45
KIF5B P33176 1/20 0.45
KDR P35968 1/20 0.45
MMP2 P08253 1/20 0.39
CHRM1 P11229 1/20 0.39
TSHR P16473 1/20 0.39
COMT P21964 1/20 0.39
ADRA1A P35348 1/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PIK3CD O00329 1/20 0.38
MGLL Q99685 1/20 0.38
HSD17B1 P14061 2/20 0.37
HSD17B2 P37059 2/20 0.37

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
SCHEMBL6136858 0.85 GRM5 (0.46) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL6136932 0.83 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL6136801 0.83 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL6136756 0.82 SMN1; SMN2 (0.49) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL6136781 0.80 TLR7 (0.49) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL6136952 0.80 P4HB (0.47) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL6136859 0.75 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL2239504 0.74 CA12 (0.58) ALDH1A1RETKIF5BKDRTSHR
SCHEMBL31281467 0.74 CA12 (0.58) ALDH1A1RETKIF5BKDRTSHR
SCHEMBL21609586 0.74 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4EHPGD

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 ALDH1A1 676/4885MEN1 3856/4885KMT2A 1966/4885
US-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 ALDH1A1 676/4885MEN1 3856/4885KMT2A 1966/4885

“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.