SCHEMBL962045

SCHEMBL962045

COC(=O)c1ccc(C(=O)Nc2nn(Cc3ccc(OC(F)F)cc3)c3ccc(F)cc23)cc1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.83
CPT1B Q92523 4/20 0.83
P2RY14 Q15391 4/20 0.42
RAB9A P51151 3/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
CPT2 P23786 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL961678 0.91 CPT1A (1.00) CPT1ACPT1BP2RY14KDM4C
SCHEMBL960972 0.90 CPT1A (0.88) CPT1ACPT1BP2RY14KDM4CCPT2
SCHEMBL961693 0.89 CPT1A (0.83) CPT1ACPT1BP2RY14TP53KDM4C
SCHEMBL963612 0.88 CPT1A (0.65) CPT1ACPT1BRAB9AGAAMEN1
SCHEMBL962451 0.87 CPT1A (0.80) CPT1ACPT1BRAB9AMAPTTP53
SCHEMBL958061 0.87 CPT1A (0.74) CPT1ACPT1BRAB9AMAPTTP53
SCHEMBL960160 0.84 CPT1A (0.75) CPT1ACPT1BKDM4CSMN1; SMN2MEN1
SCHEMBL958863 0.84 CPT1A (0.72) CPT1ACPT1BSMN1; SMN2
SCHEMBL963276 0.83 CPT1A (0.58) CPT1ACPT1BP2RY14RAB9AGAA
SCHEMBL961367 0.82 CPT1A (0.57) CPT1ACPT1BRAB9AGAAMAPT

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 6 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 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 2/4885P2RY14 1643/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CPT1A 1/4885CPT1B 2/4885P2RY14 1643/4885

“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.