Sugi Predict

Sugi Predict / Compounds / SCHEMBL698363

SCHEMBL698363

SCHEMBL698363

[c]1cccc(NCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.48
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ KCNH3 Q9ULD8 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ PTPN1 P18031 3/20 0.42
▸ FFAR1 O14842 2/20 0.42
▸ PTPN11 Q06124 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ PTPRF P10586 1/20 0.42
▸ PTPN2 P17706 1/20 0.42

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
SCHEMBL4858562 0.84 KCNH3 (0.49) HTTKCNH3LTA4HCA9ALDH1A1
SCHEMBL27463401 0.81 L3MBTL1 (0.63) CYP1A2CYP3A4KCNH3MEN1CYP2C9
N-Benzylaniline SCHEMBL27620362 0.81 HTT (0.68) HTTCYP1A2CYP3A4KCNH3MEN1
N-Benzylaniline SCHEMBL7840 0.79 HTT (0.71) HTTCYP1A2CYP3A4KCNH3MEN1
SCHEMBL22628164 0.79 HTT (0.71) HTTCYP1A2CYP3A4KCNH3MEN1
SCHEMBL4798336 0.79 NPC1 (0.57) HTTMEN1KMT2APTPN1CA12
SCHEMBL1712184 0.78 HTT (0.53) HTTCYP1A2CYP3A4KCNH3MEN1
SCHEMBL694416 0.78 HTT (0.59) HTTCYP1A2CYP3A4MEN1CYP2C9
N-Benzylaniline SCHEMBL3602124 0.77 HTT (0.68) HTTCYP1A2CYP3A4KCNH3MEN1
N-Benzylaniline SCHEMBL357137 0.77 HTT (0.68) HTTCYP1A2CYP3A4KCNH3MEN1

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015106014-A1 AZAINDOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-16 — — WO claimed
CN-102459166-B Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2015-03-25 — — CN claimed
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 — — EP claimed
US-8445477-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-21 — — US claimed
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 — — EP claimed
US-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 — — US claimed
EP-2421823-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 — — EP claimed
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 — — EP claimed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US claimed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 — — US claimed
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — US claimed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 — — WO claimed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 — — WO claimed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 — — EP claimed
JP-2005536450-A — — 2005-12-02 — — JP claimed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 — — EP claimed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 — — US claimed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 — — WO claimed
CN-111592522-B Arginine methylation transferase 5 small-molecule inhibitor and preparation method and application thereof 郑州大学 2022-09-09 — — CN disclosed
EP-1069126-A1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-01-17 — — EP 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 HTT 4559/4885CYP1A2 162/4885CYP3A4 197/4885
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA HTT 2522/4885CYP1A2 544/4885CYP3A4 2735/4885
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA HTT 2522/4885CYP1A2 544/4885CYP3A4 2735/4885

“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.