SCHEMBL4049768

SCHEMBL4049768

COC(=O)c1cc(CBr)ccc1-c1ccc(OC)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
EPHX2 P34913 8/20 0.43
NOTUM Q6P988 1/20 0.41
EIF4E P06730 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
LIMK1 P53667 2/20 0.39
LIMK2 P53671 1/20 0.39
GAA P10253 2/20 0.39
PPARG P37231 3/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 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
SCHEMBL4053766 0.83 KDM4E (0.52) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29244656 0.78 CFTR (0.47) KDM4ENOTUMGAAALDH1A1
SCHEMBL22979384 0.76 KDM4E (0.51) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30938349 0.76 KDM4E (0.59) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2409208 0.76 SMN1; SMN2 (0.44) KDM4ENOTUMSMN1; SMN2GAAALDH1A1
SCHEMBL21817978 0.75 WDR5 (0.41) KDM4ENOTUMAKR1C3AKR1C2GAA
SCHEMBL22345013 0.74 KDM4E (0.80) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30009450 0.74 KDM4E (0.80) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28949910 0.74 KDM4E (0.56) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29192842 0.73 CFTR (0.46) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 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-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 KDM4E 3438/4885CYP1A2 1975/4885CYP2D6 1070/4885

“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.