SCHEMBL961733

SCHEMBL961733

CCOC(=O)c1nn(Cc2cc(Cl)ccc2OC)c2ccc(F)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ELANE P08246 8/20 0.49
MCL1 Q07820 1/20 0.46
PTGER1 P34995 4/20 0.45
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PMP22 Q01453 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NLRP3 Q96P20 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
SCHEMBL963406 0.81 MEN1 (0.45) MEN1KMT2APTGER1NLRP3
SCHEMBL14584215 0.80 CYP1A2 (0.56) MEN1KMT2AELANETSHRCYP1A2
SCHEMBL958359 0.79 MEN1 (0.43) MEN1KMT2APTGER1NLRP3
SCHEMBL1049707 0.78 MCL1 (0.46) MEN1KMT2AELANEMCL1PTGER1
SCHEMBL1047733 0.78 CYP1A2 (0.53) MEN1KMT2AMCL1PTGER1TSHR
SCHEMBL962070 0.76 ELANE (0.51) ELANEMCL1TSHRKDM4E
SCHEMBL961246 0.75 CPT1A (0.58) ELANEMCL1KDM4E
SCHEMBL3408437 0.74 CYP1A2 (0.72) ELANETSHRALDH1A1KDM4ECYP1A2
SCHEMBL1603908 0.74 CYP1A2 (0.59) ELANETSHRALDH1A1CYP1A2CYP3A4
SCHEMBL30491087 0.74 CYP1A2 (0.72) ELANETSHRALDH1A1KDM4ECYP1A2

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 MEN1 3398/4885KMT2A 3304/4885ELANE 1677/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 MEN1 3398/4885KMT2A 3304/4885ELANE 1677/4885

“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.