SCHEMBL5114538

SCHEMBL5114538

O=C(NO)c1cc2ccc(C(F)(F)F)cc2n2nnnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.40
HDAC11 Q96DB2 6/20 0.38
HDAC6 Q9UBN7 3/20 0.36
PDE2A O00408 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC1 Q13547 1/20 0.35
CCR2 P41597 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
HDAC3 O15379 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
KCNMA1 Q12791 1/20 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
SCHEMBL4499607 0.86 KDM4E (0.44) TACR1PDE2ACCR2CYP2C19POLB
SCHEMBL4489957 0.84 POLB (0.37) TACR1PDE2ACCR2MEN1KMT2A
SCHEMBL5102600 0.83 HDAC6 (0.37) HDAC6HDAC8HDAC1KMT2AHDAC3
SCHEMBL4499121 0.81 CUL4A (0.49) HDAC11HDAC6HDAC8HDAC1MEN1
SCHEMBL5102439 0.80 MEN1 (0.51) HDAC6HDAC8HDAC1MEN1CYP1A2
SCHEMBL4504079 0.80 CACNA1B (0.45) MEN1KMT2A
SCHEMBL4507940 0.79 TMPRSS4 (0.53) MEN1KMT2APOLBJAK2JAK1
SCHEMBL4503225 0.79 LMNA (0.39) TACR1PDE2ACCR2CYP1A2CYP2C19
SCHEMBL5108532 0.77 RXFP1 (0.38) TACR1HDAC6HDAC1MEN1CYP1A2
SCHEMBL5103240 0.74 CUL4A (0.46) HDAC8MEN1CYP1A2CYP3A4CYP2D6

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-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-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

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-20070149520-A1 HCV Inhibitors And Methods Of Using Them HAVCR2, GLS2, EIF2AK2 TACR1 1599/4885HDAC11 1471/4885HDAC6 55/4885
US-20050090521-A1 HCV inhibitors and methods of using them HAVCR2, GLS2, EIF2AK2 TACR1 1599/4885HDAC11 1471/4885HDAC6 55/4885

“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.