SCHEMBL961365

SCHEMBL961365

CCOC(=O)c1nn(Cc2ccc(C#N)cc2)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 16/20 0.68
F2RL3 Q96RI0 1/20 0.53
F2 P00734 1/20 0.52
PLAU P00749 1/20 0.52
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTGER4 P35408 1/20 0.45

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
SCHEMBL25966954 0.87 ELANE (0.65) ELANEF2RL3F2PLAUTDP1
SCHEMBL19402534 0.86 ELANE (0.56) ELANEF2RL3F2PLAUPTGER4
SCHEMBL17322915 0.86 ELANE (0.67) ELANEF2RL3F2PLAUTSHR
SCHEMBL962070 0.85 ELANE (0.51) ELANEF2RL3MAPTTDP1LMNA
SCHEMBL15897855 0.84 ELANE (0.58) ELANEF2RL3F2PLAU
SCHEMBL957880 0.83 F2RL3 (0.60) ELANEF2RL3F2PLAUPTGER4
SCHEMBL25343013 0.82 PTGER4 (0.59) ELANEF2RL3F2PLAUPTGER4
SCHEMBL12069050 0.81 ELANE (0.66) ELANEF2PLAU
SCHEMBL10164962 0.79 F2RL3 (0.64) ELANEF2RL3F2PLAUTDP1
SCHEMBL961017 0.79 ELANE (0.46) ELANEMAPTTDP1LMNATSHR

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 ELANE 1677/4885F2RL3 2176/4885F2 2563/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 ELANE 1677/4885F2RL3 2176/4885F2 2563/4885

“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.