SCHEMBL3784936

SCHEMBL3784936

O=C(O)c1nn(Cc2ccc(OC(F)F)cc2)c2ccc(F)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 3/20 0.68
CPT1B Q92523 3/20 0.68
MCL1 Q07820 1/20 0.55
PTGER4 P35408 4/20 0.44
KDM4C Q9H3R0 1/20 0.43
CYP2C9 P11712 2/20 0.42
PPARG P37231 1/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PER2 O15055 1/20 0.40
CNR1 P21554 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
GPR139 Q6DWJ6 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL3789008 0.90 CPT1A (0.61) CPT1ACPT1BMCL1PTGER4KDM4C
SCHEMBL1967040 0.87 MCL1 (0.53) CPT1ACPT1BMCL1PTGER4KDM4C
SCHEMBL961246 0.86 CPT1A (0.58) CPT1ACPT1BMCL1PER2CNR1
SCHEMBL960379 0.86 CPT1A (0.74) CPT1ACPT1BPTGER4
SCHEMBL3783075 0.85 PTGER4 (0.54) CPT1ACPT1BMCL1PTGER4CYP2C9
SCHEMBL29459618 0.85 PTGER4 (0.54) CPT1ACPT1BMCL1PTGER4CYP2C9
SCHEMBL24273099 0.83 MCL1 (0.61) CPT1ACPT1BMCL1PTGER4KDM4C
SCHEMBL957857 0.81 CPT1A (0.58) CPT1ACPT1BMCL1KDM4CPOLB
SCHEMBL3778189 0.81 CPT1A (0.54) CPT1ACPT1BMCL1PTGER4POLB
SCHEMBL961678 0.81 CPT1A (1.00) CPT1ACPT1BPTGER4KDM4C

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 9 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 claimed
EP-2079703-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP claimed
WO-2008052898-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO claimed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 US claimed
US-8071628-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-06 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 (1 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 2/4885MCL1 1482/4885

“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.