SCHEMBL842507

SCHEMBL842507

COC(=O)c1cncn1C1CCN(S(=O)(=O)c2ccccc2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
HTR6 P50406 5/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD3 P35462 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.37
MEN1 O00255 2/20 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
SCHEMBL843562 0.92 KMT2A (0.43) HTR6MAPTKMT2ALMNANPC1
SCHEMBL843010 0.82 CYP11B2 (0.40) CACNA1HCACNA1IHTR6CYP3A4CYP2D6
SCHEMBL842484 0.80 NOTUM (0.40) CYP3A4MAPTLMNATSHRMAPK1
SCHEMBL842772 0.80 ALDH1A1 (0.41) KMT2AMAPK1ALDH1A1MEN1
SCHEMBL2817700 0.76 CYP11B2 (0.43) KMT2ATSHRMAPK1ALDH1A1MEN1
SCHEMBL9493247 0.76 CYP11B2 (0.43) KMT2ATSHRMAPK1ALDH1A1MEN1
SCHEMBL9493435 0.76 CYP11B2 (0.43) KMT2ATSHRMAPK1ALDH1A1MEN1
SCHEMBL10494022 0.75 KMT2A (0.48) KMT2ANPC1MAPK1MEN1
SCHEMBL2818685 0.72 KDM4C (0.44) MAPK1HSD17B10ALDH1A1
SCHEMBL9673472 0.72 MAPK1 (0.40) MAPK1

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 CACNA1H 3046/4885CACNA1I 2647/4885HTR6 3074/4885

“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.