SCHEMBL8736776

SCHEMBL8736776

C=CCOc1cc(Oc2ccc(C)cc2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 5/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 2/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
TEAD4 Q15561 1/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 2/20 0.35
GALR3 O60755 1/20 0.35
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL8737839 0.81 MEN1 (0.43) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3823066 0.81 MAOA (0.44) MAOAKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8736561 0.79 MEN1 (0.47) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL5208927 0.79 CA12 (0.49) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14402925 0.79 LTA4H (0.44) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL472078 0.73 CA12 (0.53) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8049518 0.72 UHRF1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1KCNH2
SCHEMBL12727959 0.70 SREBF1 (0.44) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8237311 0.69 TEAD4 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL3487338 0.69 CA12 (0.57) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 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 (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-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF MAOA 3521/4885KDM4E 1353/4885MEN1 2248/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF MAOA 3521/4885KDM4E 1353/4885MEN1 2248/4885

“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.