SCHEMBL8737849

SCHEMBL8737849

Cc1ccc(Nc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.65
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 2/20 0.58
NPC1 O15118 2/20 0.58
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
PTGS2 P35354 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HIF1A Q16665 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
BCHE P06276 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.54
CHEK2 O96017 1/20 0.54

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
SCHEMBL31556118 0.95 HPGD (0.60) ARRAB9ASMN1; SMN2HPGDNPC1
SCHEMBL11714868 0.89 MEN1 (0.67) ARRAB9ASMN1; SMN2HPGDNPC1
SCHEMBL128703 0.89 LMNA (0.67) ARRAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL866939 0.86 NPC1 (0.60) ARRAB9ASMN1; SMN2HPGDNPC1
SCHEMBL27438029 0.86 CTSV (0.56) ARRAB9AHPGDMEN1KMT2A
SCHEMBL19382100 0.85 AR (0.59) ARRAB9ASMN1; SMN2HPGDNPC1
SCHEMBL14571016 0.84 SMN1; SMN2 (0.67) ARRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL2113895 0.84 CYP1A2 (0.57) ARRAB9ASMN1; SMN2HPGDNPC1
SCHEMBL10128671 0.84 LMNA (0.60) ARRAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL8736979 0.84 LMNA (0.60) ARRAB9ASMN1; SMN2CYP1A2CYP2C19

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 3 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-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 AR 3355/4885RAB9A 1346/4885SMN1; SMN2 4560/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF AR 3355/4885RAB9A 1346/4885SMN1; SMN2 4560/4885

“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.