SCHEMBL963708

SCHEMBL963708

CN(C)/C=N\c1nn(Cc2ccc(OC(F)F)cc2)c2ccc(F)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.51
CPT1B Q92523 4/20 0.51
PER2 O15055 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
POLB P06746 1/20 0.34
CACNA1H O95180 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
MCL1 Q07820 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
CPT2 P23786 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
SCHEMBL963710 1.00 CPT1A (0.51) CPT1ACPT1BPER2MEN1KMT2A
SCHEMBL963627 0.92 CPT1A (0.44) CPT1ACPT1BPER2MEN1KMT2A
SCHEMBL963626 0.92 CPT1A (0.44) CPT1ACPT1BPER2MEN1KMT2A
SCHEMBL959161 0.87 CNR2 (0.44) CPT1ACPT1BKDM4EALDH1A1POLB
SCHEMBL959162 0.87 CNR2 (0.44) CPT1ACPT1BKDM4EALDH1A1POLB
SCHEMBL959591 0.81 PTGER4 (0.37) MEN1KMT2AKDM4EALDH1A1GRIN1
SCHEMBL959590 0.81 PTGER4 (0.37) MEN1KMT2AKDM4EALDH1A1GRIN1
SCHEMBL960999 0.80 HCRTR1 (0.34) CPT1ACPT1BMEN1KMT2AKDM4E
SCHEMBL960997 0.80 HCRTR1 (0.34) CPT1ACPT1BMEN1KMT2AKDM4E
SCHEMBL957857 0.77 CPT1A (0.58) CPT1ACPT1BPER2MEN1KMT2A

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 2/4885PER2 3654/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CPT1A 1/4885CPT1B 2/4885PER2 3654/4885

“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.