SCHEMBL4917544

SCHEMBL4917544

O=C(Nc1nc2c(Cl)cccc2s1)Nc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.56
RAB9A P51151 10/20 0.55
NPC1 O15118 9/20 0.55
KMT2A Q03164 8/20 0.54
MEN1 O00255 7/20 0.54
POLB P06746 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 2/20 0.53
RET P07949 1/20 0.53
FLT1 P17948 1/20 0.53
KDR P35968 1/20 0.53
MAPK14 Q16539 1/20 0.53
MAPK1 P28482 2/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RECQL P46063 1/20 0.52
GAA P10253 3/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL4919064 0.91 RAB9A (0.54) ACP1RAB9ANPC1KMT2AMEN1
SCHEMBL4921080 0.87 RAB9A (0.57) ACP1RAB9ANPC1KMT2AMEN1
SCHEMBL5732406 0.86 KMT2A (0.57) ACP1KMT2AMEN1KDM4ERET
SCHEMBL14270519 0.82 NPC1 (0.54) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL6370026 0.82 NPC1 (0.61) ACP1RAB9ANPC1KMT2AMEN1
SCHEMBL11421487 0.82 RAB9A (0.77) ACP1RAB9ANPC1KMT2AMEN1
SCHEMBL4919372 0.81 LCK (0.57) ACP1RAB9ANPC1KMT2AMEN1
SCHEMBL4919944 0.81 NPC1 (0.51) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL4909726 0.79 KMT2A (0.56) ACP1RAB9ANPC1KMT2AMEN1
SCHEMBL4919868 0.78 TRPV1 (0.57) ACP1KMT2AMEN1KDRMAPK1

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 ACP1 2816/4885RAB9A 3792/4885NPC1 1713/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 ACP1 1249/4885RAB9A 3771/4885NPC1 3462/4885

“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.