SCHEMBL16198628

SCHEMBL16198628

CC(C)(C)c1nn(-c2cccc(Cl)c2)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
GAA P10253 5/20 0.43
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 5/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MPO P05164 1/20 0.42
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 2/20 0.41
ALPG P10696 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.41
HCAR1 Q9BXC0 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL16198629 0.85 RIPK2 (0.47) KMT2AMAPTALDH1A1L3MBTL1LMNA
SCHEMBL9966144 0.82 ALDH1A1 (0.44) HPGDKDM4EKMT2AMAPTMAPK1
SCHEMBL14276774 0.81 HPGD (0.48) HPGDSMN1; SMN2CRHBPCRHR2GAA
SCHEMBL5485154 0.77 L3MBTL1 (0.51) HPGDSMN1; SMN2CRHBPCRHR2GAA
SCHEMBL18994202 0.76 LMNA (0.44) HPGDSMN1; SMN2GAAKDM4EMAPT
SCHEMBL5480800 0.75 ALDH1A1 (0.42) HPGDSMN1; SMN2CRHBPCRHR2GAA
SCHEMBL16198646 0.75 KDM4E (0.53) GAAKDM4EKMT2AALDH1A1PKM
SCHEMBL7656709 0.75 NPC1 (0.48) HPGDSMN1; SMN2GAAKDM4EKMT2A
SCHEMBL29001520 0.73 TSHR (0.40) HPGDSMN1; SMN2CRHBPCRHR2GAA
SCHEMBL16199163 0.71 ALDH1A1 (0.57) HPGDSMN1; SMN2GAAKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981999-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-05-29 US disclosed
US-9981999-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-05-29 US disclosed
US-20170362260-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-12-21 US disclosed
US-20170362260-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-12-21 US disclosed
US-9683002-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-20 US disclosed
US-9683002-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-20 US disclosed
US-20160090393-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-31 US disclosed
US-20160090393-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-31 US disclosed
US-9045443-B2 Nitric oxide donor neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-06-02 US disclosed
US-9045443-B2 Nitric oxide donor neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-06-02 US disclosed
US-20150119571-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-30 US disclosed
US-20150119571-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-30 US disclosed
US-8871792-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-10-28 US disclosed
US-8871792-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-10-28 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-20150119571-A1 NEPRILYSIN INHIBITORS MME, REN, ACE HPGD 1983/4885SMN1; SMN2 1013/4885CRHBP 1639/4885
US-20160090393-A1 NEPRILYSIN INHIBITORS MME, REN, ACE HPGD 1983/4885SMN1; SMN2 1013/4885CRHBP 1639/4885
US-20170362260-A1 NEPRILYSIN INHIBITORS MME, REN, ACE HPGD 1983/4885SMN1; SMN2 1013/4885CRHBP 1639/4885

“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.