SCHEMBL12190878

SCHEMBL12190878

COc1ccc(NC(=O)c2cncc(-c3cc(OC)c(OC)c(OC)c3)c2)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
POLB P06746 2/20 0.63
TSHR P16473 1/20 0.63
CYP1A2 P05177 2/20 0.58
CYP1A1 P04798 1/20 0.58
CYP1B1 Q16678 1/20 0.58
ALDH1A1 P00352 3/20 0.57
MAPT P10636 2/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 1/20 0.57
LMNA P02545 2/20 0.56
NPC1 O15118 1/20 0.56
AHR P35869 1/20 0.56
RAB9A P51151 1/20 0.56
P4HTM Q9NXG6 1/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50

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
SCHEMBL12190924 0.87 SMN1; SMN2 (0.60) SMN1; SMN2POLBTSHRCYP1A2CYP1A1
SCHEMBL12190906 0.86 SMN1; SMN2 (0.63) SMN1; SMN2POLBTSHRCYP1A2CYP1A1
SCHEMBL12190872 0.86 SMN1; SMN2 (0.66) SMN1; SMN2POLBTSHRCYP1A2CYP1A1
SCHEMBL12190949 0.86 SMN1; SMN2 (0.57) SMN1; SMN2POLBTSHRCYP1A2CYP1A1
SCHEMBL12191082 0.85 SMN1; SMN2 (0.61) SMN1; SMN2POLBTSHRCYP1A2CYP1A1
SCHEMBL12190861 0.85 SMN1; SMN2 (0.79) SMN1; SMN2POLBTSHRCYP1A2CYP1A1
SCHEMBL12190880 0.82 TAS1R3 (0.55) POLBALDH1A1MAPTKDM4EHPGD
SCHEMBL12191018 0.81 KDM4E (0.62) SMN1; SMN2POLBTSHRCYP1A2CYP1A1
SCHEMBL12190982 0.80 POLB (0.55) SMN1; SMN2POLBTSHRCYP1A2CYP1A1
SCHEMBL31680510 0.77 SMN1; SMN2 (0.88) SMN1; SMN2POLBTSHRCYP1A2CYP1A1

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-8030336-B2 Nicotinamide-based kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-10-04 US disclosed
US-8030336-B2 Nicotinamide-based kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-10-04 US disclosed
US-20070060619-A1 Nicotinamide-based kinase inhibitors CYTOPIA PTY LTD (AU) 2007-03-15 US disclosed
US-20070060619-A1 Nicotinamide-based kinase inhibitors CYTOPIA PTY LTD (AU) 2007-03-15 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 (1 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-20070060619-A1 Nicotinamide-based kinase inhibitors NADK, NAMPT, PDXK SMN1; SMN2 1424/4885POLB 1869/4885TSHR 3114/4885

“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.