SCHEMBL842455

SCHEMBL842455

CN1c2ccccc2C(=O)C(C)(C)S1(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CES1 P23141 2/20 0.40
TTR P02766 1/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C9 P11712 2/20 0.36
POLB P06746 2/20 0.36
CYP3A4 P08684 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL17275723 0.71 ALDH1A1 (0.50) KDM4EMAPTLMNAALDH1A1HTT
SCHEMBL842046 0.68 ALDH1A1 (0.66) KDM4EMAPTLMNAALDH1A1HTT
SCHEMBL29565250 0.68 ALDH1A1 (0.47) KDM4EMAPTLMNAALDH1A1HTT
SCHEMBL841850 0.67 NOTUM (0.43) KDM4EMAPTLMNAALDH1A1HTT
SCHEMBL19194634 0.66 CA9 (0.62) KDM4EMAPTLMNAHTTCA2
SCHEMBL14294228 0.65 CYP2C9 (0.64) KDM4ELMNAHTTCA2CA9
SCHEMBL8191201 0.64 CDC25A (0.51) KDM4ELMNAALDH1A1CA2CA9
SCHEMBL20618813 0.64 ALDH1A1 (0.47) KDM4EMAPTLMNAALDH1A1HTT
SCHEMBL11536144 0.64 ALDH1A1 (0.47) KDM4EMAPTLMNAALDH1A1HTT
SCHEMBL3251301 0.64 CA2 (0.39) KDM4EMAPTLMNAALDH1A1HTT

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 7 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
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 KDM4E 2534/4885MAPT 978/4885LMNA 3525/4885

“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.