SCHEMBL7705937

SCHEMBL7705937

COc1ccc(C(=O)NCCc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.76
RAB9A P51151 12/20 0.74
NPC1 O15118 11/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
MAPT P10636 4/20 0.74
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
NFKB1 P19838 1/20 0.71
NFKB2 Q00653 1/20 0.71
RELA Q04206 1/20 0.71
GAA P10253 1/20 0.69
TAAR1 Q96RJ0 1/20 0.69
HDAC2 Q92769 1/20 0.68
HDAC8 Q9BY41 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
SIGMAR1 Q99720 1/20 0.64
PLAAT3 P53816 1/20 0.64
PLAAT5 Q96KN8 1/20 0.64
PLAAT2 Q9NWW9 1/20 0.64
PLAAT4 Q9UL19 1/20 0.64

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
SCHEMBL2335992 0.94 KMT2A (0.71) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
Iodide SCHEMBL30758593 0.93 KMT2A (0.70) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL15618832 0.92 RAB9A (0.77) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8548802 0.91 NPC1 (0.72) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL17372599 0.89 NPC1 (0.65) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6570625 0.87 RAB9A (0.70) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9313096 0.87 MAPT (0.71) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7272416 0.86 MGLL (0.74) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL17554044 0.86 SMN1; SMN2 (0.69) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9108525 0.85 ALDH1A1 (0.64) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3724188-B1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2023-06-07 EP disclosed
EP-3724188-B1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2023-06-07 EP disclosed
US-20210163471-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS 2021-06-03 US disclosed
US-20210163471-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS 2021-06-03 US disclosed
EP-3724188-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME Arkuda Therapeutics (US) 2020-10-21 EP disclosed
WO-2019118528-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2019-06-20 WO disclosed
WO-2019118528-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2019-06-20 WO disclosed
US-20140154183-A1 NOVEL [F-18]-LABELLED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVES (I), THEIR USE AND PROCESSES FOR THEIR PREPARATION LIFE MOLECULAR IMAGING SA (CH) 2014-06-05 US disclosed
US-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-11-18 US disclosed
US-20070141630-A1 IDENTIFICATION OF NON-COVALENT COMPLEXES BY MASS SPECTROMETRY GENENTECH, INC. (US) 2007-06-21 US disclosed
US-20070141630-A1 IDENTIFICATION OF NON-COVALENT COMPLEXES BY MASS SPECTROMETRY GENENTECH, INC. (US) 2007-06-21 US disclosed
EP-0901488-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-11-06 EP disclosed
EP-0901488-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 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 (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-20140154183-A1 NOVEL [F-18]-LABELLED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVES (I), THEIR USE AND PROCESSES FOR THEIR PREPARATION GLUL, QPCT, SLC1A2 ALDH1A1 1093/4885RAB9A 516/4885NPC1 4231/4885
US-20210163471-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME GRN, PRNP, PSEN1 ALDH1A1 4834/4885RAB9A 2951/4885NPC1 325/4885
US-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC3, BIRC2 ALDH1A1 3348/4885RAB9A 949/4885NPC1 3616/4885

“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.