SCHEMBL8737839

SCHEMBL8737839

CCOc1cc(Oc2ccc(C)cc2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LTA4H P09960 2/20 0.42
PPARG P37231 1/20 0.41
TEAD4 Q15561 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PTGS2 P35354 1/20 0.38
GALR3 O60755 1/20 0.38
NQO1 P15559 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 1/20 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
SCHEMBL14402925 0.87 LTA4H (0.44) MEN1KMT2ALTA4HTEAD4KDM4E
SCHEMBL8736561 0.84 MEN1 (0.47) MEN1KMT2APPARGTEAD4KDM4E
SCHEMBL8736776 0.81 MAOA (0.40) MEN1KMT2ATEAD4KDM4EKCNH2
SCHEMBL3817033 0.80 NQO1 (0.48) MEN1KMT2APPARGALDH1A1TDP1
SCHEMBL12727959 0.78 SREBF1 (0.44) MEN1KMT2APPARGTEAD4KDM4E
SCHEMBL8049518 0.77 UHRF1 (0.50) MEN1KMT2ATEAD4KCNH2SCN5A
SCHEMBL16804956 0.77 CCR1 (0.55) NQO1
SCHEMBL129096 0.76 UHRF1 (0.48) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL8736759 0.76 KDM4E (0.53) MEN1KMT2ALTA4HTEAD4KDM4E
SCHEMBL8737704 0.76 LTA4H (0.68) MEN1KMT2ALTA4HTEAD4ALDH1A1

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 MEN1 2248/4885KMT2A 1462/4885LTA4H 4145/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF MEN1 2248/4885KMT2A 1462/4885LTA4H 4145/4885

“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.