SCHEMBL960997

SCHEMBL960997

CN(C)/C=N\c1nn(Cc2ccc(OC(F)F)cc2)c2c(F)cccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 5/20 0.34
HPGD P15428 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CPT1A P50416 2/20 0.33
CPT1B Q92523 2/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL960999 1.00 HCRTR1 (0.34) HCRTR1HCRTR2ALDH1A1KDM4EHPGD
SCHEMBL959161 0.85 CNR2 (0.44) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL959162 0.85 CNR2 (0.44) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL962445 0.82 MAPT (0.38) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL962443 0.82 MAPT (0.38) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL963626 0.80 CPT1A (0.44) ALDH1A1KDM4ECPT1ACPT1BCACNA1G
SCHEMBL963708 0.80 CPT1A (0.51) ALDH1A1KDM4ECPT1ACPT1BCACNA1G
SCHEMBL963627 0.80 CPT1A (0.44) ALDH1A1KDM4ECPT1ACPT1BCACNA1G
SCHEMBL963710 0.80 CPT1A (0.51) ALDH1A1KDM4ECPT1ACPT1BCACNA1G
SCHEMBL959678 0.77 HCRTR1 (0.39) HCRTR1HCRTR2ALDH1A1LMNAMAPT

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 HCRTR1 840/4885HCRTR2 1229/4885ALDH1A1 138/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 HCRTR1 840/4885HCRTR2 1229/4885ALDH1A1 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.