SCHEMBL8737245

SCHEMBL8737245

Cc1ccc(Sc2ccc3ccccc3c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2A6 P11509 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
DHFR P00374 2/20 0.41
CYP1A2 P05177 4/20 0.41
MAP2K2 P36507 1/20 0.41
MAP2K1 Q02750 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
CYP2C9 P11712 2/20 0.37
ALDH1A1 P00352 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
SCHEMBL8736890 0.80 CYP11B1 (0.55) HAO1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL8737057 0.77 LMNA (0.58) HAO1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL14176682 0.76 CYP2A6 (0.60) HAO1SMN1; SMN2NPC1RAB9ACYP2A6
SCHEMBL8737320 0.75 SMN1; SMN2 (0.45) HAO1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL8737436 0.75 L3MBTL1 (0.50) HAO1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL8736781 0.75 HAO1 (0.53) HAO1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL20342334 0.74 CYP2A6 (0.71) HAO1SMN1; SMN2CYP2A6TDP1LMNA
SCHEMBL8736568 0.74 NPC1 (0.44) HAO1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3388888 0.74 CYP3A4 (0.46) HAO1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7690413 0.71 HPGD (0.54) HAO1SMN1; SMN2NPC1RAB9ACYP2A6

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 HAO1 3065/4885SMN1; SMN2 4560/4885NPC1 3232/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF HAO1 3065/4885SMN1; SMN2 4560/4885NPC1 3232/4885

“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.