SCHEMBL958064

SCHEMBL958064

O=C(NCc1ccc(-c2nnn[nH]2)cc1)c1nn(Cc2ccc(OC(F)F)cc2)c2ccc(F)cc12

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.75
CPT1B Q92523 4/20 0.75
PTGER4 P35408 10/20 0.47
CPT2 P23786 1/20 0.40
POLB P06746 1/20 0.39
RET P07949 1/20 0.38
CNR1 P21554 1/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL957856 0.91 CPT1A (0.75) CPT1ACPT1BPTGER4CPT2POLB
SCHEMBL957891 0.86 CPT1A (0.58) CPT1ACPT1BPTGER4POLBCNR1
SCHEMBL962510 0.86 CPT1A (0.56) CPT1ACPT1BPTGER4POLBCNR1
SCHEMBL957884 0.85 CPT1A (0.55) CPT1ACPT1BPTGER4CPT2POLB
SCHEMBL960379 0.83 CPT1A (0.74) CPT1ACPT1BPTGER4
SCHEMBL963615 0.82 PTGER4 (0.59) CPT1ACPT1BPTGER4
SCHEMBL958863 0.82 CPT1A (0.72) CPT1ACPT1BPTGER4POLBCNR1
SCHEMBL3784936 0.76 CPT1A (0.68) CPT1ACPT1BPTGER4POLBCNR1
SCHEMBL960086 0.76 CPT1A (0.70) CPT1ACPT1BCPT2POLB
SCHEMBL958438 0.76 CPT1A (0.53) CPT1ACPT1BPTGER4CPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071628-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US claimed
US-20110015234-A1 INDAZOLE DERIVATIVES ACKERMANN JEAN 2011-01-20 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 2/4885PTGER4 1048/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CPT1A 1/4885CPT1B 2/4885PTGER4 1048/4885

“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.