SCHEMBL842484

SCHEMBL842484

COC(=O)c1cncn1C1CCN(C(C)=O)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.40
MAPK1 P28482 2/20 0.40
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
TDO2 P48775 1/20 0.37
IDO1 P14902 2/20 0.37
CNR2 P34972 2/20 0.37
CYP11B2 P19099 1/20 0.37
CYP3A4 P08684 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.35
RBP4 P02753 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 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
SCHEMBL842772 0.88 ALDH1A1 (0.41) MAPK1CNR2GPBAR1ALDH1A1STAT3
SCHEMBL842507 0.80 CACNA1H (0.41) MAPK1CYP3A4ALDH1A1MAPTTSHR
SCHEMBL9493247 0.80 CYP11B2 (0.43) MAPK1CYP11B2ALDH1A1TSHR
SCHEMBL2817700 0.80 CYP11B2 (0.43) MAPK1CYP11B2ALDH1A1TSHR
SCHEMBL9493435 0.80 CYP11B2 (0.43) MAPK1CYP11B2ALDH1A1TSHR
SCHEMBL10494022 0.79 KMT2A (0.48) MAPK1CYP11B2POLB
SCHEMBL843562 0.77 KMT2A (0.43) CYP11B2KDM4EALDH1A1MAPTTSHR
SCHEMBL2818685 0.76 KDM4C (0.44) MAPK1TDO2IDO1CYP11B2KDM4E
SCHEMBL9673472 0.76 MAPK1 (0.40) MAPK1IDO1CYP11B2POLB
SCHEMBL2817853 0.74 SLC6A2 (0.41) MAPK1TDO2IDO1CYP11B2RBP4

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 8 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-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
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
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 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 148/4885MAPK1 1399/4885BRD4 1689/4885

“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.