SCHEMBL963406

SCHEMBL963406

COc1ccc(Cl)cc1Cn1nc(CO)c2cc(F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGER1 P34995 4/20 0.43
AKR1B1 P15121 2/20 0.43
NLRP3 Q96P20 2/20 0.39
NR3C1 P04150 2/20 0.38
NR3C2 P08235 2/20 0.38
ROCK2 O75116 1/20 0.37
PLA2G2A P14555 1/20 0.36
HTR2A P28223 2/20 0.36
SLC6A4 P31645 2/20 0.36
KCNH2 Q12809 1/20 0.36
CCR4 P51679 1/20 0.36
PGR P06401 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL958359 0.91 MEN1 (0.43) MEN1KMT2APTGER1AKR1B1NLRP3
SCHEMBL961733 0.81 MEN1 (0.50) MEN1KMT2APTGER1NLRP3
SCHEMBL958290 0.80 CNR1 (0.37) MEN1KMT2APTGER1AKR1B1NR3C1
SCHEMBL958431 0.76 NLRP3 (0.35) MEN1KMT2APTGER1AKR1B1NLRP3
SCHEMBL958430 0.71 NLRP3 (0.35) MEN1KMT2APTGER1NLRP3ROCK2
SCHEMBL2807452 0.70 KDM4C (0.38)
SCHEMBL14627391 0.70 CYP1A2 (0.53) PTGER1AKR1B1
SCHEMBL14627346 0.70 CYP1A2 (0.53) PTGER1AKR1B1
SCHEMBL712489 0.69 MAPT (0.57) MEN1KMT2ANLRP3SLC6A4KCNH2
SCHEMBL927783 0.68 CYP1A2 (0.51) AKR1B1

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 3304/4885PTGER1 396/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 MEN1 3398/4885KMT2A 3304/4885PTGER1 396/4885

“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.