SCHEMBL4499121

SCHEMBL4499121

O=C(NO)c1cc2ccc(Cl)cc2n2nnnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.49
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.38
TNKS O95271 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CHEK1 O14757 1/20 0.36
LIMK1 P53667 1/20 0.36
MAPK14 Q16539 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 2/20 0.36
HDAC1 Q13547 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC3 O15379 2/20 0.34
HDAC2 Q92769 2/20 0.34

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
SCHEMBL5103240 0.90 CUL4A (0.46) CUL4ARXFP1MAPTKDM4ETNKS
SCHEMBL4511855 0.89 CUL4A (0.48) CUL4ARXFP1MAPTKDM4ETNKS
SCHEMBL4498079 0.85 CUL4A (0.45) CUL4ARXFP1MAPTKDM4ETNKS
SCHEMBL4482553 0.85 CUL4A (0.52) CUL4ARXFP1MAPTKDM4ETNKS
SCHEMBL4498718 0.84 CUL4A (0.51) CUL4ARXFP1MAPTKDM4ETNKS
Potassium Ion SCHEMBL4511656 0.83 CUL4A (0.50) CUL4ARXFP1MAPTKDM4ETNKS
SCHEMBL5102439 0.83 MEN1 (0.51) RXFP1MAPTKDM4ETNKSHPGD
SCHEMBL4492325 0.82 CUL4A (0.42) CUL4ARXFP1MAPTKDM4ETNKS
SCHEMBL4483473 0.82 RXFP1 (0.49) RXFP1KDM4EHPGDALDH1A1HTT
SCHEMBL5114538 0.81 TACR1 (0.40) HDAC1HDAC6HDAC8HDAC3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US claimed
EP-1668009-A1 HCV INHIBITORS AND METHODS OF USING THEM Rigel Pharmaceuticals, Inc. (US) 2006-06-14 EP claimed
US-20050090521-A1 HCV inhibitors and methods of using them RIGEL PHARMACEUTICALS, INC. 2005-04-28 US claimed
WO-2005030774-A1 HCV INHIBITORS AND METHODS OF USING THEM RIGEL PHARMACEUTICALS, INC. (US) 2005-04-07 WO claimed
US-7569580-B2 Tetrazolo[1,5-a]thieno[2,3-e]pyridine-4-carboxylic acid RIGEL PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-7569580-B2 Tetrazolo[1,5-a]thieno[2,3-e]pyridine-4-carboxylic acid RIGEL PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-7569580-B2 Tetrazolo[1,5-a]thieno[2,3-e]pyridine-4-carboxylic acid RIGEL PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20050282850-A1 Heterotricylic compounds for use as HCV inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 US disclosed
WO-2005121138-A2 HETEROTRICYCLIC COMPOUNDS FOR USE AS HCV INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 WO disclosed
US-20050090521-A1 HCV inhibitors and methods of using them RIGEL PHARMACEUTICALS, INC. 2005-04-28 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-20070149520-A1 HCV Inhibitors And Methods Of Using Them HAVCR2, GLS2, EIF2AK2 CUL4A 56/4885RXFP1 4583/4885MAPT 4435/4885
US-20050090521-A1 HCV inhibitors and methods of using them HAVCR2, GLS2, EIF2AK2 CUL4A 56/4885RXFP1 4583/4885MAPT 4435/4885
US-20050282850-A1 Heterotricylic compounds for use as HCV inhibitors HAVCR2, PYGL, HCCS CUL4A 99/4885RXFP1 4521/4885MAPT 4179/4885

“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.