SCHEMBL4917870

SCHEMBL4917870

COc1ccc2nc(NC(=O)c3ccc(C(F)(F)F)cc3)sc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HPGD P15428 1/20 0.49
PPARG P37231 1/20 0.49
PTK2B Q14289 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
NCS1 P62166 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
STAT3 P40763 1/20 0.46

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
SCHEMBL4918031 0.88 NPC1 (0.63) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4914811 0.87 SCD (0.66) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4921043 0.87 ALDH1A1 (0.55) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4917530 0.86 KMT2A (0.57) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4915134 0.85 SCD (0.61) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL2743651 0.84 LRRK2 (0.48) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4918628 0.84 ALDH1A1 (0.51) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL16554024 0.84 SCD (0.64) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL14294575 0.84 SCD (0.50) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4916579 0.83 SCD (0.67) SCDNPC1RAB9AMEN1KMT2A

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
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 US claimed
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-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 US disclosed
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 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 SCD 3790/4885NPC1 1713/4885RAB9A 3792/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 SCD 3956/4885NPC1 3462/4885RAB9A 3771/4885

“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.