SCHEMBL4920196

SCHEMBL4920196

O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1nc2c(Cl)cccc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.65
MEN1 O00255 9/20 0.65
MAPT P10636 6/20 0.65
LMNA P02545 4/20 0.57
HTT P42858 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
TRPV1 Q8NER1 1/20 0.52
CXCR2 P25025 1/20 0.50
GAA P10253 1/20 0.48
BLM P54132 1/20 0.48
LCK P06239 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ATM Q13315 2/20 0.46
ALDH1A1 P00352 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
SCHEMBL26034887 0.83 KMT2A (0.60) KMT2AMEN1MAPTLMNAHTT
SCHEMBL4909726 0.80 KMT2A (0.56) KMT2AMEN1MAPTLMNACASP3
SCHEMBL4919372 0.80 LCK (0.57) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL26034874 0.79 MAPT (1.00) KMT2AMEN1MAPTLMNAHTT
SCHEMBL4917839 0.77 KMT2A (0.57) KMT2AMEN1MAPTLMNAHTT
SCHEMBL4918430 0.77 KDR (0.62) TRPV1BLM
SCHEMBL4921080 0.76 RAB9A (0.57) KMT2AMEN1MAPTLMNAHTT
SCHEMBL21568294 0.76 DDX3X (0.56) KMT2AMEN1MAPTLMNAHTT
SCHEMBL4920964 0.74 KMT2A (0.57) KMT2AMEN1MAPTLMNACASP3
SCHEMBL4917544 0.74 ACP1 (0.56) KMT2AMEN1MAPTLMNASMN1; SMN2

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 8 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-11731985-B2 Compositions and methods for treating cancer HB THERAPEUTICS INC. (US) 2023-08-22 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-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

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-11731985-B2 Compositions and methods for treating cancer VHL, TP53, NUDT1 KMT2A 623/4885MEN1 977/4885MAPT 1476/4885
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.