SCHEMBL5137765

SCHEMBL5137765

CC(C)(Oc1ccccc1Oc1ccc(N)cc1)C(=O)NCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
MMP13 P45452 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP19A1 P11511 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
PPARA Q07869 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MTNR1B P49286 1/20 0.36
MCL1 Q07820 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL13915602 0.84 NCOA1 (0.41) NCOA1NCOA3CARM1PRMT6CYP19A1
SCHEMBL5137194 0.83 MAPT (0.43) PTGS2CYP19A1KMT2AMEN1SMN1; SMN2
SCHEMBL13915668 0.83 MTNR1B (0.37) NCOA1NCOA3MMP13CARM1PRMT6
SCHEMBL13915663 0.82 PPID (0.48) CARM1PRMT6SMN1; SMN2NPSR1L3MBTL1
SCHEMBL13915601 0.80 LMNA (0.42) NCOA1NCOA3CARM1PRMT6CYP19A1
SCHEMBL13915604 0.80 ALDH1A1 (0.51) NCOA1NCOA3KMT2AMEN1PPARA
SCHEMBL13915605 0.79 SSTR4 (0.43) NCOA1NCOA3MAPTHTT
SCHEMBL13915672 0.78 KDM4E (0.43) LMNAGAAALDH1A1MAPTHTT
SCHEMBL5083030 0.76 NCOA1 (0.41) NCOA1NCOA3CARM1PRMT6CYP19A1
SCHEMBL11540178 0.74 ALDH1A1 (0.55) PTGS2KMT2AMEN1SMN1; SMN2PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664051-A4 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRISTOL MYERS SQUIBB CO (US) 2008-12-31 EP disclosed
EP-1664051-A2 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Bristol-Myers Squibb Company (US) 2006-06-07 EP disclosed
US-7030112-B2 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-18 US disclosed
WO-2005030144-A2 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-07 WO disclosed
US-20040209886-A1 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 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-20040209886-A1 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders PCNA, DPYD, MALT1 NCOA1 1648/4885NCOA3 1595/4885MMP13 2195/4885

“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.