SCHEMBL2332449

SCHEMBL2332449

CSc1nc2cc(N)ccc2s1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.75
SMN1; SMN2 Q16637 3/20 0.65
NPSR1 Q6W5P4 1/20 0.65
ALDH1A1 P00352 5/20 0.53
MAPT P10636 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 2/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
NFKB1 P19838 1/20 0.53
GFER P55789 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
CLK1 P49759 1/20 0.49
PKM P14618 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48

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
SCHEMBL304698 0.86 KEAP1 (1.00) KEAP1SMN1; SMN2NPSR1ALDH1A1MAPT
SCHEMBL11251436 0.85 MAPT (0.56) KEAP1SMN1; SMN2NPSR1ALDH1A1MAPT
SCHEMBL14327114 0.79 SMN1; SMN2 (0.65) KEAP1SMN1; SMN2NPSR1ALDH1A1GAA
SCHEMBL30602946 0.79 SMN1; SMN2 (1.00) KEAP1SMN1; SMN2NPSR1
SCHEMBL30602939 0.79 NPSR1 (0.65) KEAP1SMN1; SMN2NPSR1ALDH1A1MAPT
SCHEMBL1748171 0.79 SMN1; SMN2 (1.00) KEAP1SMN1; SMN2NPSR1
SCHEMBL1512366 0.79 SMN1; SMN2 (0.65) KEAP1SMN1; SMN2NPSR1ALDH1A1GAA
SCHEMBL3468909 0.79 NPSR1 (0.65) KEAP1SMN1; SMN2NPSR1ALDH1A1MAPT
SCHEMBL30602942 0.79 SMN1; SMN2 (0.65) KEAP1SMN1; SMN2NPSR1ALDH1A1GAA
SCHEMBL2337609 0.79 NPSR1 (0.65) KEAP1SMN1; SMN2NPSR1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
EP-1465882-B1 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-08-24 EP disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed
WO-2007110364-A1 BENZOTHIAZOLES HAVING HISTAMINE H3 RECEPTOR ACTIVITY HIGH POINT PHARMACEUTICALS, LLC (US) 2007-10-04 WO disclosed
US-7115640-B2 Heterocyclic modulators of nuclear receptors X-CEPTOR THERAPEUTICS, INC. (US) 2006-10-03 US disclosed
US-20060173056-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2006-08-03 US disclosed
US-7074794-B2 Proline derivatives and the use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-07-11 US disclosed
US-7060722-B2 Proline derivatives and use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-06-13 US disclosed
US-20050245538-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2005-11-03 US disclosed
EP-1465882-A4 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2005-04-06 EP disclosed
EP-1465882-A2 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
US-20040180942-A1 Heterocyclic modulators of nuclear receptors X-CEPTOR THERAPEUTICS, INC. 2004-09-16 US disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
US-6696473-B2 THIAZOLIDINONE DERIVATIVES; MODULATING CHOLESTEROL METABOLISM X-CEPTOR THERAPEUTICS, INC. 2004-02-24 US disclosed
WO-2003060078-A9 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2004-02-19 WO disclosed
US-20030212111-A1 Heterocyclic modulators of nuclear receptors AKARNA THERAPEUTICS, LTD. (GB) 2003-11-13 US disclosed
WO-2003060078-A2 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 WO disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 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 (5 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-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 KEAP1 2031/4885SMN1; SMN2 3114/4885NPSR1 377/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 KEAP1 2031/4885SMN1; SMN2 3114/4885NPSR1 377/4885
US-20040180942-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 KEAP1 578/4885SMN1; SMN2 4858/4885NPSR1 649/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 KEAP1 1612/4885SMN1; SMN2 2487/4885NPSR1 294/4885
US-20030212111-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 KEAP1 578/4885SMN1; SMN2 4858/4885NPSR1 649/4885

“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.