SCHEMBL8736561

SCHEMBL8736561

COc1cc(Oc2ccc(C)cc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
AR P10275 1/20 0.46
ALDH1A1 P00352 4/20 0.45
ACHE P22303 1/20 0.45
LOX P28300 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
TEAD4 Q15561 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL3177144 0.86 SMN1; SMN2 (0.54) MEN1KMT2AALDH1A1LOXLOXL2
SCHEMBL13791688 0.85 LTA4H (0.50) MEN1KMT2ALOXLOXL2CCR1
SCHEMBL8737839 0.84 MEN1 (0.43) MEN1KMT2AARALDH1A1TEAD4
SCHEMBL14402925 0.82 LTA4H (0.44) MEN1KMT2AALDH1A1TEAD4TDP1
SCHEMBL8049518 0.81 UHRF1 (0.50) MEN1KMT2AARALDH1A1TEAD4
Diphenylether SCHEMBL27898636 0.80 LTA4H (0.53) ACHELOXLOXL2CCR1CCR5
SCHEMBL1206676 0.80 CCR1 (0.64) ALDH1A1ACHELOXLOXL2CCR1
SCHEMBL8736776 0.79 MAOA (0.40) MEN1KMT2AALDH1A1TEAD4TDP1
SCHEMBL3173025 0.79 ALDH1A1 (0.49) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL8237311 0.78 TEAD4 (0.44) MEN1KMT2AARALDH1A1TEAD4

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 1462/4885AR 3355/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF MEN1 2248/4885KMT2A 1462/4885AR 3355/4885

“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.