SCHEMBL16000815

SCHEMBL16000815

CCc1nnc(-c2cnc(Cl)c(Cl)c2)o1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
LRRK2 Q5S007 1/20 0.39
KMT2A Q03164 2/20 0.39
ALOX12 P18054 1/20 0.39
NPC1 O15118 4/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 3/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.34
TSHR P16473 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
SCHEMBL16000804 0.86 MAPK14 (0.40) NOTUMLRRK2KMT2AALOX12NPC1
SCHEMBL19416842 0.84 NOTUM (0.51) NOTUMKMT2AALOX12NPC1MAPT
SCHEMBL13860583 0.78 NOTUM (0.43) NOTUMKMT2ANPC1MAPTRAB9A
SCHEMBL16000807 0.77 NOTUM (0.44) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16675212 0.77 ALDH1A1 (0.49) NOTUMLRRK2KMT2AALOX12NPC1
SCHEMBL14438048 0.76 KMT2A (0.62) NOTUMKMT2AALOX12NPC1MAPT
SCHEMBL15992883 0.76 NOTUM (0.37) NOTUMKMT2AALOX12NPC1MAPT
SCHEMBL4001854 0.75 ALDH1A1 (0.40) KDM4EL3MBTL1ALDH1A1LMNAPOLB
SCHEMBL16000799 0.75 NOTUM (0.55) NOTUMKMT2AALOX12NPC1MAPT
SCHEMBL16000821 0.75 NOTUM (0.43) NOTUMLRRK2KMT2ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156830-B2 Heterocyclic compounds SHIONOGI & CO., LTD. (JP) 2015-10-13 US disclosed
US-20140249159-A1 HETEROCYCLIC COMPOUNDS PURDUE PHARMA L.P. 2014-09-04 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-20140249159-A1 HETEROCYCLIC COMPOUNDS HRH2, UGT1A3, UGT1A1 NOTUM 4629/4885LRRK2 658/4885KMT2A 3048/4885

“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.