SCHEMBL4920964

SCHEMBL4920964

O=C(Nc1ccc(C(=O)O)cc1)Nc1nc2c(Cl)cccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
HSD17B10 Q99714 3/20 0.55
MAPT P10636 6/20 0.53
MEN1 O00255 5/20 0.53
GAA P10253 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
ACP1 P24666 1/20 0.53
MAPK1 P28482 2/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LCK P06239 1/20 0.48

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
SCHEMBL4919372 0.86 LCK (0.57) KMT2AMAPTMEN1GAANPC1
SCHEMBL5731223 0.83 TRPV1 (0.57) KMT2AMAPTMEN1GAANPC1
SCHEMBL4917839 0.81 KMT2A (0.57) KMT2AHSD17B10MAPTMEN1GAA
SCHEMBL4909726 0.79 KMT2A (0.56) KMT2AMAPTMEN1GAANPC1
SCHEMBL21568294 0.79 DDX3X (0.56) KMT2AHSD17B10MAPTMEN1GAA
SCHEMBL5732406 0.78 KMT2A (0.57) KMT2AMAPTMEN1GAAACP1
SCHEMBL4918430 0.78 KDR (0.62)
SCHEMBL30754208 0.77 DYRK1A (0.71) KMT2AMAPTMEN1GAAACP1
SCHEMBL2788879 0.77 KMT2A (0.59) KMT2AMAPTMEN1GAANPC1
SCHEMBL26034887 0.75 KMT2A (0.60) KMT2AMAPTMEN1GAAMAPK1

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-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 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-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 KMT2A 1591/4885HSD17B10 1453/4885MAPT 1955/4885

“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.