SCHEMBL959466

SCHEMBL959466

Nc1nn(Cc2ccc(OC(F)F)cc2)c2cc(F)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.51
CPT1B Q92523 4/20 0.51
GRIN1 Q05586 3/20 0.39
GRIN2B Q13224 3/20 0.39
PDE5A O76074 2/20 0.39
SCN9A Q15858 1/20 0.37
SLC2A1 P11166 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
PER2 O15055 1/20 0.34
ENPP2 Q13822 1/20 0.34
CSF1R P07333 1/20 0.34
GPR139 Q6DWJ6 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
SCHEMBL957857 0.90 CPT1A (0.58) CPT1ACPT1BGRIN1GRIN2BSLC2A1
SCHEMBL17205820 0.85 KMT2A (0.46) PDE5ASLC2A1MEN1KMT2AALDH1A1
SCHEMBL960089 0.84 CNR1 (0.46) CPT1ACPT1BPDE5APOLBCSF1R
SCHEMBL3778189 0.83 CPT1A (0.54) CPT1ACPT1BGRIN1GRIN2BPDE5A
SCHEMBL963626 0.77 CPT1A (0.44) CPT1ACPT1BGRIN1GRIN2BPDE5A
SCHEMBL963627 0.77 CPT1A (0.44) CPT1ACPT1BGRIN1GRIN2BPDE5A
SCHEMBL3789008 0.76 CPT1A (0.61) CPT1ACPT1BGRIN1GRIN2BSCN9A
SCHEMBL959678 0.76 HCRTR1 (0.39) CPT1ACPT1BSCN9AMEN1KMT2A
SCHEMBL959596 0.75 PDE5A (0.45) GRIN1GRIN2BPDE5AMEN1KMT2A
SCHEMBL3784936 0.74 CPT1A (0.68) CPT1ACPT1BGRIN1GRIN2BPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858645-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US claimed
EP-2079703-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP claimed
WO-2008052898-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO claimed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 US claimed
US-8071628-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-20110015234-A1 INDAZOLE DERIVATIVES ACKERMANN JEAN 2011-01-20 US disclosed
US-7858645-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
EP-2079703-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP disclosed
WO-2008052898-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO disclosed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 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-20080103182-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CPT1A 1/4885CPT1B 2/4885GRIN1 2139/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CPT1A 1/4885CPT1B 2/4885GRIN1 2139/4885

“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.