SCHEMBL8737320

SCHEMBL8737320

CSc1ccc(Sc2ccc(C)cn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HAO1 Q9UJM8 1/20 0.44
NOTUM Q6P988 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KDM4E B2RXH2 2/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
CHEK2 O96017 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL8737436 0.85 L3MBTL1 (0.50) SMN1; SMN2NPC1RAB9AHAO1NOTUM
SCHEMBL8736568 0.83 NPC1 (0.44) SMN1; SMN2NPC1RAB9AHAO1NOTUM
SCHEMBL3388888 0.83 CYP3A4 (0.46) SMN1; SMN2NPC1RAB9AHAO1NOTUM
SCHEMBL8736890 0.82 CYP11B1 (0.55) SMN1; SMN2NPC1RAB9AHAO1NOTUM
SCHEMBL8736781 0.80 HAO1 (0.53) SMN1; SMN2NPC1RAB9AHAO1MAPT
SCHEMBL485398 0.79
SCHEMBL3391275 0.79 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AHAO1NOTUM
SCHEMBL25218268 0.78 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9AHAO1LMNA
SCHEMBL30474703 0.78 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9AHAO1LMNA
SCHEMBL20380107 0.76 MAPT (0.64) SMN1; SMN2NPC1RAB9ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
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-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 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 (4 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 SMN1; SMN2 3445/4885NPC1 3710/4885RAB9A 1797/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 SMN1; SMN2 3445/4885NPC1 3710/4885RAB9A 1797/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF SMN1; SMN2 4560/4885NPC1 3232/4885RAB9A 1346/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF SMN1; SMN2 4560/4885NPC1 3232/4885RAB9A 1346/4885

“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.