SCHEMBL961693

SCHEMBL961693

O=C(Nc1nn(Cc2ccc(OC(F)F)cc2)c2ccc(F)cc12)c1ccncc1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.83
CPT1B Q92523 4/20 0.83
KDM4C Q9H3R0 7/20 0.48
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
FSCN1 Q16658 1/20 0.41
CPT2 P23786 1/20 0.40
P2RY14 Q15391 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK14 Q16539 1/20 0.39
CASP1 P29466 1/20 0.38

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
SCHEMBL960972 0.92 CPT1A (0.88) CPT1ACPT1BKDM4CSMN1; SMN2FSCN1
SCHEMBL961678 0.91 CPT1A (1.00) CPT1ACPT1BKDM4CP2RY14
SCHEMBL960160 0.89 CPT1A (0.75) CPT1ACPT1BKDM4CLMNASMN1; SMN2
SCHEMBL962045 0.89 CPT1A (0.83) CPT1ACPT1BKDM4CLMNASMN1; SMN2
SCHEMBL962451 0.89 CPT1A (0.80) CPT1ACPT1BKDM4CLMNASMN1; SMN2
SCHEMBL957830 0.88 CPT1A (0.64) CPT1ACPT1BLMNASMN1; SMN2TSHR
SCHEMBL958061 0.85 CPT1A (0.74) CPT1ACPT1BLMNASMN1; SMN2TSHR
SCHEMBL959454 0.85 CPT1A (0.71) CPT1ACPT1BKDM4CLMNATSHR
SCHEMBL961344 0.81 CPT1A (0.69) CPT1ACPT1BLMNASMN1; SMN2NPSR1
SCHEMBL958176 0.81 CPT1A (0.70) CPT1ACPT1BLMNAFSCN1CPT2

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-7858645-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US 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
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.