SCHEMBL4581092

SCHEMBL4581092

COc1cc(Nc2ccc(C(N)=O)c(NCCO)c2)c(Cl)c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
SYK P43405 3/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
CSF1R P07333 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 4/20 0.37
HSP90AB1 P08238 4/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCL6 P41182 1/20 0.36
SIRT1 Q96EB6 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
SCHEMBL4580323 0.83 MAPK9 (0.45) MAPK9MAPK10SYKMAPK12CSF1R
SCHEMBL4580452 0.83 MAPK9 (0.45) MAPK9MAPK10SYKMAPK12CSF1R
SCHEMBL4581571 0.80 ALDH1A1 (0.41) ALDH1A1KMT2AHPGDBCL6
SCHEMBL5162466 0.68 POLB (0.44) ALDH1A1KMT2AKDM4ESMN1; SMN2L3MBTL1
SCHEMBL11572109 0.68 L3MBTL1 (0.54) KMT2AKDM4ESMN1; SMN2L3MBTL1GLA
SCHEMBL14252659 0.67 SRC (0.46) MAPK9MAPK10ALDH1A1MEN1KMT2A
SCHEMBL13450261 0.67 MAPK9 (0.57) MAPK9MAPK10SYKMAPK12CSF1R
SCHEMBL4582739 0.67 MAPK9 (0.51) MAPK9MAPK10SYKMAPK12CSF1R
SCHEMBL4523815 0.67 MAPK9 (0.76) MAPK9MAPK10MAPK12CSF1RMEN1
SCHEMBL11144337 0.67 CASP3 (0.55) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2

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
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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 (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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 MAPK9 3008/4885MAPK10 3262/4885SYK 462/4885

“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.