SCHEMBL959635

SCHEMBL959635

CCOC(=O)c1nn(Cc2cccc(C(F)(F)F)c2)c2ccc(F)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.54
PTGER4 P35408 1/20 0.49
CPT1A P50416 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 3/20 0.45
APP P05067 1/20 0.45
ADORA1 P30542 1/20 0.45
THRB P10828 1/20 0.45
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
F2RL3 Q96RI0 1/20 0.44
ABHD6 Q9BV23 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL958271 0.86 PTGER4 (0.58) PTGER4CPT1ASMN1; SMN2MAPTTHRB
SCHEMBL962070 0.78 ELANE (0.51) ELANEPTGER4SMN1; SMN2MAPTF2RL3
SCHEMBL25343013 0.77 PTGER4 (0.59) ELANEPTGER4CPT1AF2RL3
SCHEMBL961246 0.77 CPT1A (0.58) ELANECPT1AMAPTTHRBF2RL3
SCHEMBL30016260 0.77 PTGER4 (0.55) PTGER4CPT1ASMN1; SMN2ALDH1A1MAPT
SCHEMBL959257 0.77 PTGER4 (0.65) PTGER4CPT1ASMN1; SMN2MAPT
SCHEMBL12070101 0.76 SCN9A (0.74) ELANEALDH1A1MAPTAPPADORA1
SCHEMBL3781575 0.73 PTGER4 (0.73) PTGER4CPT1AALDH1A1MAPTNPSR1
SCHEMBL961733 0.72 MEN1 (0.50) ELANEALDH1A1NPSR1KDM4EMEN1
SCHEMBL1050196 0.72 KCNK3 (0.44) PTGER4F2RL3MEN1KMT2ASCN9A

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 ELANE 1677/4885PTGER4 1048/4885CPT1A 1/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 ELANE 1677/4885PTGER4 1048/4885CPT1A 1/4885

“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.