SCHEMBL842710

SCHEMBL842710

CCOC(=O)c1cn(C2c3cc(F)ccc3NC(=O)C2(C)C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
SNRNP200 O75643 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTR7 P34969 1/20 0.35
MEN1 O00255 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL842863 0.89 SNRNP200 (0.38) SNRNP200MEN1KMT2A
SCHEMBL842649 0.87 ALDH1A1 (0.41) NOTUMGABRA2GABRB2KDM4ETSHR
SCHEMBL863072 0.78 CYP11B2 (0.52) GABRA2GABRB2TSHRMEN1CYP1A2
SCHEMBL843720 0.75 MEN1 (0.37) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL841974 0.71 CYP17A1 (0.39) MEN1CYP1A2CYP2C19KMT2A
SCHEMBL843420 0.69 CYP11B2 (0.39) SNRNP200KDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL10570251 0.67 ALDH1A1 (0.48) NOTUMGABRA2GABRB2KDM4ETSHR
SCHEMBL1268993 0.66 NOTUM (0.47) NOTUMGABRA2GABRB2KDM4ETSHR
SCHEMBL843002 0.65 KMT2A (0.39) MEN1CYP1A2CYP2C19KMT2A
SCHEMBL2175437 0.65 NOTUM (0.67) NOTUMGABRA2GABRB2MEN1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
EP-2121652-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS Novartis AG (CH) 2009-11-25 EP disclosed
WO-2008076860-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO 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 (1 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-20100093711-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP11B2 NOTUM 148/4885GABRA2 2099/4885GABRB2 1174/4885

“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.