SCHEMBL961367

SCHEMBL961367

COC(=O)c1ccc(C(=O)Nc2nn(Cc3ccc(OC(F)F)cc3)c3c(F)cccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.57
CPT1B Q92523 2/20 0.57
ALDH1A1 P00352 1/20 0.42
FPR1 P21462 4/20 0.41
FPR2 P25090 4/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
CPT2 P23786 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ATM Q13315 2/20 0.38
FAAH O00519 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 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
SCHEMBL960320 0.91 CPT1A (0.69) CPT1ACPT1BALDH1A1ATMLMNA
SCHEMBL963612 0.86 CPT1A (0.65) CPT1ACPT1BMEN1KMT2ARAB9A
SCHEMBL961299 0.84 P2RY14 (0.48) CPT1ACPT1BALDH1A1MEN1KMT2A
SCHEMBL962045 0.82 CPT1A (0.83) CPT1ACPT1BMEN1KMT2ARAB9A
SCHEMBL958176 0.77 CPT1A (0.70) CPT1ACPT1BRAB9ACPT2NPC1
SCHEMBL958522 0.77 CPT1A (0.78) CPT1ACPT1BLMNA
SCHEMBL957806 0.75 CPT1A (0.59) CPT1ACPT1BALDH1A1MEN1KMT2A
SCHEMBL957830 0.75 CPT1A (0.64) CPT1ACPT1BALDH1A1MAPK1SMN1; SMN2
SCHEMBL961344 0.75 CPT1A (0.69) CPT1ACPT1BALDH1A1MEN1KMT2A
SCHEMBL960972 0.73 CPT1A (0.88) CPT1ACPT1BMEN1KMT2ACPT2

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 2/4885ALDH1A1 138/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CPT1A 1/4885CPT1B 2/4885ALDH1A1 138/4885

“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.