SCHEMBL18307641

SCHEMBL18307641

O=C(Nc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)sc2c1)[C@@H]1C[C@H](O)CN1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.57
KCNK2 O95069 1/20 0.41
KCNK4 Q9NYG8 1/20 0.41
NPC1 O15118 6/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 3/20 0.36
PKM P14618 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ILK Q13418 1/20 0.35
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
P2RX7 Q99572 1/20 0.34
NFKB1 P19838 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
SCHEMBL15314101 0.85 GPR35 (0.58) GPR35KCNK2KCNK4NPC1KDM4E
SCHEMBL12652469 0.83 GPR35 (0.71) GPR35KCNK2KCNK4NPC1KDM4E
SCHEMBL24832763 0.81 GPR35 (0.71) GPR35KCNK2KCNK4NPC1KDM4E
SCHEMBL12735466 0.79 GPR35 (0.71) GPR35KCNK2KCNK4NPC1KDM4E
SCHEMBL24832764 0.79 GPR35 (0.71) GPR35KCNK2KCNK4NPC1KDM4E
SCHEMBL17943796 0.79 GPR35 (0.71) GPR35KCNK2KCNK4NPC1KDM4E
SCHEMBL20870811 0.76 GPR35 (0.67) GPR35KCNK2KCNK4NPC1KDM4E
SCHEMBL20870531 0.76 GPR35 (0.67) GPR35KCNK2KCNK4NPC1KDM4E
SCHEMBL12652654 0.76 GPR35 (0.67) GPR35KCNK2KCNK4NPC1KDM4E
SCHEMBL12941097 0.76 GPR35 (0.67) GPR35KCNK2KCNK4NPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362388-A1 CHEMILUMINESCENT METHODS AND REAGENTS FOR ANALYTE DETECTION WANG TIANXIN (US) 2016-12-15 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-20160362388-A1 CHEMILUMINESCENT METHODS AND REAGENTS FOR ANALYTE DETECTION UCHL1, LCT, SPR GPR35 3934/4885KCNK2 3860/4885KCNK4 3449/4885

“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.