SCHEMBL9979936

SCHEMBL9979936

CC(C)(C)OC(=O)c1cc(I)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 14/20 0.56
GABRB3 P28472 14/20 0.56
GABRA5 P31644 13/20 0.56
GABRA1 P14867 13/20 0.56
GABRA2 P47869 13/20 0.56
GABRA3 P34903 12/20 0.56
GABRA6 Q16445 11/20 0.45
GABRA4 P48169 5/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRE P78334 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
AR P10275 1/20 0.40
HPGDS O60760 1/20 0.39
ATR Q13535 1/20 0.37
ANO1 Q5XXA6 1/20 0.37

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
SCHEMBL3700486 0.81 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL163615 0.81 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL29563011 0.81 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL13105640 0.81 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL2490793 0.81 ALDH1A1 (0.50) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL724883 0.80 ALDH1A1 (0.50) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL728168 0.80 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL15114586 0.80 KDM4E (0.56) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL3882564 0.80 GABRG2 (0.45) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL14595539 0.80 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA1GABRA2

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-8324389-B2 Solid forms of a Raf kinase inhibitor NOVARTIS AG (CH) 2012-12-04 US disclosed
US-8202998-B2 Salts of benzimidazolyl pyridyl ethers and formulations thereof NOVARTIS AG (CH) 2012-06-19 US disclosed
US-20100209418-A1 Solid Forms of a Raf Kinase Inhibitor NOVARTIS AG (CH) 2010-08-19 US disclosed
US-20100168060-A1 SALTS OF BENZIMIDAZOLYL PYRIDYL ETHERS AND FORMULATIONS THEREOF NOVARTIS AG (CH) 2010-07-01 US disclosed
US-7732465-B2 Substituted benzimidazoles and methods of their use NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-06-08 US disclosed
US-20090170904-A1 Substituted benzimidazoles and methods of their use NOVARTIS AG 2009-07-02 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-20100209418-A1 Solid Forms of a Raf Kinase Inhibitor BRAF, RAF1, ARAF GABRG2 2878/4885GABRB3 3220/4885GABRA5 3782/4885
US-20100168060-A1 SALTS OF BENZIMIDAZOLYL PYRIDYL ETHERS AND FORMULATIONS THEREOF PIR, BRD8, PHOSPHO1 GABRG2 434/4885GABRB3 1003/4885GABRA5 262/4885
US-20090170904-A1 Substituted benzimidazoles and methods of their use BRAF, DSTYK, CHEK2 GABRG2 759/4885GABRB3 609/4885GABRA5 803/4885

“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.