SCHEMBL960972

SCHEMBL960972

O=C(Nc1nn(Cc2ccc(OC(F)F)cc2)c2ccc(F)cc12)c1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.88
CPT1B Q92523 4/20 0.88
KDM4C Q9H3R0 1/20 0.49
FSCN1 Q16658 1/20 0.44
CDC7 O00311 1/20 0.44
PTGER4 P35408 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
P2RY14 Q15391 4/20 0.41
CPT2 P23786 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL961678 0.94 CPT1A (1.00) CPT1ACPT1BKDM4CPTGER4P2RY14
SCHEMBL962451 0.94 CPT1A (0.80) CPT1ACPT1BKDM4CFSCN1CDC7
SCHEMBL961693 0.92 CPT1A (0.83) CPT1ACPT1BKDM4CFSCN1SMN1; SMN2
SCHEMBL960160 0.90 CPT1A (0.75) CPT1ACPT1BKDM4CSMN1; SMN2MEN1
SCHEMBL962045 0.90 CPT1A (0.83) CPT1ACPT1BKDM4CSMN1; SMN2MEN1
SCHEMBL958061 0.89 CPT1A (0.74) CPT1ACPT1BPTGER4SMN1; SMN2MEN1
SCHEMBL958176 0.89 CPT1A (0.70) CPT1ACPT1BFSCN1PTGER4CPT2
SCHEMBL961344 0.88 CPT1A (0.69) CPT1ACPT1BFSCN1CDC7PTGER4
SCHEMBL959454 0.85 CPT1A (0.71) CPT1ACPT1BKDM4CFSCN1MEN1
SCHEMBL958522 0.85 CPT1A (0.78) CPT1ACPT1BFSCN1PTGER4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858645-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 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-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 2/4885KDM4C 2698/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CPT1A 1/4885CPT1B 2/4885KDM4C 2698/4885

“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.