SCHEMBL4917839

SCHEMBL4917839

Cc1ccc(NC(=O)Nc2nc3c(Cl)cccc3s2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.57
MEN1 O00255 6/20 0.57
MAPT P10636 5/20 0.57
KDM4E B2RXH2 2/20 0.57
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPSR1 Q6W5P4 2/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.56
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.53
HSD17B10 Q99714 2/20 0.51
GAA P10253 1/20 0.51
ACP1 P24666 1/20 0.51
HTT P42858 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HPGD P15428 2/20 0.49
LCK P06239 1/20 0.49

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
SCHEMBL21568294 0.82 DDX3X (0.56) KMT2AMEN1MAPTKDM4EATM
SCHEMBL4909726 0.82 KMT2A (0.56) KMT2AMEN1MAPTKDM4EATM
SCHEMBL4919372 0.81 LCK (0.57) KMT2AMEN1MAPTKDM4ENPSR1
SCHEMBL4920964 0.81 KMT2A (0.57) KMT2AMEN1MAPTKDM4EATM
SCHEMBL4918430 0.81 KDR (0.62)
SCHEMBL5731223 0.79 TRPV1 (0.57) KMT2AMEN1MAPTL3MBTL1SMN1; SMN2
SCHEMBL26034887 0.78 KMT2A (0.60) KMT2AMEN1MAPTKDM4EATM
SCHEMBL30754208 0.78 DYRK1A (0.71) KMT2AMEN1MAPTKDM4ENPSR1
SCHEMBL30577265 0.77 SMN1; SMN2 (0.81) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL4920196 0.77 KMT2A (0.65) KMT2AMEN1MAPTKDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680431-A1 BENZOTHIAZOLE AND THIAZOLE'5,5-B!PYRIDINE COMPOSITIONS AND THEIR USE AS UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2006-07-19 EP claimed
US-20050131068-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-06-16 US claimed
US-20050130974-A1 Benzothiazole compositions and their use as ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-06-16 US claimed
WO-2005037845-A1 BENZOTHIAZOLE AND THIAZOLE[5,5-B] PYRIDINE COMPOSITIONS AND THEIR USE AS UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-04-28 WO claimed
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 US disclosed
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 US disclosed
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 US disclosed
US-20050130974-A1 Benzothiazole compositions and their use as ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-06-16 US disclosed
WO-2005037845-A1 BENZOTHIAZOLE AND THIAZOLE[5,5-B] PYRIDINE COMPOSITIONS AND THEIR USE AS UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-04-28 WO 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 (3 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-20050131068-A1 Therapeutic agents GPR119, INSR, LIPA KMT2A 3639/4885MEN1 1108/4885MAPT 4338/4885
US-20050130974-A1 Benzothiazole compositions and their use as ubiquitin ligase inhibitors UBQLN1, UBE2T, NEDD4 KMT2A 1419/4885MEN1 3866/4885MAPT 426/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 KMT2A 1591/4885MEN1 4194/4885MAPT 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.