SCHEMBL4923628

SCHEMBL4923628

O=C(Nc1nc2cccc(Cl)c2s1)Nc1cc(F)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
NPC1 O15118 6/20 0.57
POLB P06746 1/20 0.57
KMT2A Q03164 8/20 0.47
RXFP1 Q9HBX9 2/20 0.47
GLA P06280 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
LRRK2 Q5S007 1/20 0.46
MEN1 O00255 5/20 0.46
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.45
GAA P10253 1/20 0.45
LCK P06239 1/20 0.44
RECQL P46063 1/20 0.44
P2RY1 P47900 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
DYRK1A Q13627 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL14270519 0.87 NPC1 (0.54) RAB9ANPC1POLBKMT2ARXFP1
SCHEMBL4921080 0.84 RAB9A (0.57) RAB9ANPC1POLBKMT2ANPSR1
SCHEMBL14270517 0.83 RAB9A (0.56) RAB9ANPC1POLBKMT2ARXFP1
SCHEMBL14270518 0.83 LCK (0.57) RAB9ANPC1POLBKMT2AMEN1
SCHEMBL14270520 0.77 TP53 (0.56) KMT2ARXFP1MEN1MAPTGAA
SCHEMBL5091421 0.77 NPC1 (0.66) RAB9ANPC1KMT2ARXFP1GLA
SCHEMBL4919076 0.75 NPC1 (0.58) RAB9ANPC1POLBKMT2ARXFP1
SCHEMBL26034891 0.73 KMT2A (0.58) RAB9ANPC1POLBKMT2ARXFP1
SCHEMBL9352497 0.71 KMT2A (0.55) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL18824223 0.71 DYRK1A (0.64) RAB9ANPC1POLBKMT2ALRRK2

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 6 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-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-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 (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-20050130974-A1 Benzothiazole compositions and their use as ubiquitin ligase inhibitors UBQLN1, UBE2T, NEDD4 RAB9A 3792/4885NPC1 1713/4885POLB 2057/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 RAB9A 3771/4885NPC1 3462/4885POLB 2248/4885

“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.