SCHEMBL958359

SCHEMBL958359

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGER1 P34995 5/20 0.41
AKR1B1 P15121 2/20 0.41
NLRP3 Q96P20 2/20 0.39
HTR2A P28223 2/20 0.36
SLC6A4 P31645 2/20 0.36
KCNH2 Q12809 1/20 0.36
HTR2C P28335 1/20 0.36
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
PLA2G2A P14555 1/20 0.34

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 0.91 MEN1 (0.45) MEN1KMT2APTGER1AKR1B1NLRP3
SCHEMBL958290 0.80 CNR1 (0.37) MEN1KMT2APTGER1AKR1B1SLC6A4
SCHEMBL961733 0.79 MEN1 (0.50) MEN1KMT2APTGER1NLRP3
SCHEMBL958431 0.76 NLRP3 (0.35) MEN1KMT2APTGER1AKR1B1NLRP3
SCHEMBL958430 0.71 NLRP3 (0.35) MEN1KMT2APTGER1NLRP3
SCHEMBL8603506 0.68 LMNA (0.52) KMT2AKCNH2
SCHEMBL14627346 0.68 CYP1A2 (0.53) PTGER1AKR1B1
SCHEMBL14627391 0.67 CYP1A2 (0.53) PTGER1AKR1B1
SCHEMBL1551626 0.67 CYP1A2 (0.49) MEN1KMT2APTGER1
SCHEMBL1552066 0.67 MEN1 (0.43) MEN1KMT2APTGER1

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 13 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
EP-1828199-B1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
US-7390903-B2 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. (US) 2008-06-24 US 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
EP-1828199-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
US-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-06-22 US disclosed
WO-2006063732-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO disclosed
US-4600428-A N-(cyclopropyl-pyrimidinyl-N'-(aryl-sulfonyl) ureas having herbicidal activity CIBA-GEIGY CORPORATION (US) 1986-07-15 US disclosed
US-4515626-A PLANT GROWTH REGULATORS CIBA GEIGY CORPORATION (US) 1985-05-07 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 (3 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-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors GABBR1, CHRNA5, CHRNA3 MEN1 4709/4885KMT2A 3171/4885PTGER1 388/4885
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.