SCHEMBL963626

SCHEMBL963626

CN(C)/C=N\c1nn(Cc2ccc(OC(F)F)cc2)c2cc(F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.44
CPT1B Q92523 4/20 0.44
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PDE5A O76074 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
PER2 O15055 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
ENPP2 Q13822 1/20 0.32
CPT2 P23786 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
BMI1 P35226 1/20 0.31

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
SCHEMBL963627 1.00 CPT1A (0.44) CPT1ACPT1BMEN1KMT2APDE5A
SCHEMBL963710 0.92 CPT1A (0.51) CPT1ACPT1BMEN1KMT2AKDM4E
SCHEMBL963708 0.92 CPT1A (0.51) CPT1ACPT1BMEN1KMT2AKDM4E
SCHEMBL959161 0.87 CNR2 (0.44) CPT1ACPT1BKDM4EALDH1A1CACNA1G
SCHEMBL959162 0.87 CNR2 (0.44) CPT1ACPT1BKDM4EALDH1A1CACNA1G
SCHEMBL958903 0.81 PDE5A (0.40) MEN1KMT2APDE5AKDM4EALDH1A1
SCHEMBL958904 0.81 PDE5A (0.40) MEN1KMT2APDE5AKDM4EALDH1A1
SCHEMBL960999 0.80 HCRTR1 (0.34) CPT1ACPT1BMEN1KMT2AKDM4E
SCHEMBL960997 0.80 HCRTR1 (0.34) CPT1ACPT1BMEN1KMT2AKDM4E
SCHEMBL959466 0.77 CPT1A (0.51) CPT1ACPT1BMEN1KMT2APDE5A

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 2/4885MEN1 3398/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CPT1A 1/4885CPT1B 2/4885MEN1 3398/4885

“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.