SCHEMBL12190872

SCHEMBL12190872

COc1cccc(-c2cncc(C(=O)Nc3ccc(OC)cc3OC)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.66
POLB P06746 2/20 0.66
TSHR P16473 1/20 0.66
CYP1A1 P04798 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP1B1 Q16678 1/20 0.58
MAPT P10636 4/20 0.57
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
LMNA P02545 1/20 0.56
AHR P35869 1/20 0.56
P4HTM Q9NXG6 1/20 0.55
IRAK4 Q9NWZ3 1/20 0.54
DHODH Q02127 1/20 0.53
BRAF P15056 1/20 0.52
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51

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
SCHEMBL12190861 0.90 SMN1; SMN2 (0.79) SMN1; SMN2POLBTSHRCYP1A1CYP1A2
SCHEMBL12190878 0.86 SMN1; SMN2 (0.63) SMN1; SMN2POLBTSHRCYP1A1CYP1A2
SCHEMBL12190906 0.86 SMN1; SMN2 (0.63) SMN1; SMN2POLBTSHRCYP1A1CYP1A2
SCHEMBL12191082 0.85 SMN1; SMN2 (0.61) SMN1; SMN2POLBTSHRCYP1A1CYP1A2
SCHEMBL12190924 0.84 SMN1; SMN2 (0.60) SMN1; SMN2POLBTSHRCYP1A1CYP1A2
SCHEMBL12191131 0.84 MEN1 (0.66) SMN1; SMN2POLBMAPTALDH1A1RAB9A
SCHEMBL12191018 0.83 KDM4E (0.62) SMN1; SMN2POLBTSHRCYP1A1CYP1A2
SCHEMBL12191123 0.83 SMN1; SMN2 (0.55) SMN1; SMN2POLBTSHRMAPTALDH1A1
SCHEMBL12191103 0.82 MEN1 (0.64) SMN1; SMN2POLBTSHRALDH1A1NPC1
SCHEMBL12190982 0.82 POLB (0.55) SMN1; SMN2POLBTSHRCYP1A1CYP1A2

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.