SCHEMBL1521316

SCHEMBL1521316

NC(=O)CSc1nnc2sc3ccccc3n12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.68
POLB P06746 5/20 0.65
RAB9A P51151 5/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
ALDH1A1 P00352 3/20 0.65
HPGD P15428 2/20 0.65
MAPT P10636 2/20 0.61
RECQL P46063 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
TSHR P16473 5/20 0.58
NPC1 O15118 3/20 0.58
PKM P14618 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TP53 P04637 4/20 0.57
USP2 O75604 1/20 0.57
GAA P10253 2/20 0.57
ALOX15 P16050 1/20 0.57
CHEK1 O14757 1/20 0.54
PDGFRA P16234 1/20 0.54

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
SCHEMBL5814566 0.81 RECQL (0.62) L3MBTL1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL11746758 0.80 RECQL (0.69) L3MBTL1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL15430002 0.78 POLB (0.62) L3MBTL1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL11746960 0.78 RECQL (0.62) L3MBTL1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL11744763 0.78 RECQL (0.74) L3MBTL1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL11749848 0.78 RAB9A (0.68) L3MBTL1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL12961788 0.78 L3MBTL1 (0.66) L3MBTL1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL11745359 0.77 RECQL (0.61) L3MBTL1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL3279735 0.75 CHEK1 (0.60) L3MBTL1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL11744248 0.75 PARP10 (0.66) L3MBTL1POLBRAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 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-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT L3MBTL1 1178/4885POLB 2747/4885RAB9A 4328/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT L3MBTL1 729/4885POLB 2709/4885RAB9A 4202/4885

“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.