SCHEMBL2733495

SCHEMBL2733495

CC(C)(C)c1ccc(C(=O)N2CCOCC2)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.65
▸ RAB9A P51151 7/20 0.51
▸ NPC1 O15118 5/20 0.49
▸ POLB P06746 2/20 0.49
▸ GRM5 P41594 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ HPGD P15428 3/20 0.49
▸ SCN9A Q15858 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.46
▸ HSP90AB1 P08238 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ MLYCD O95822 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.43

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
SCHEMBL23880057 0.82 SCN9A (0.47) SMN1; SMN2ALDH1A1HPGDSCN9AHSP90AA1
SCHEMBL25972082 0.82 HPGD (0.50) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL26152348 0.81 RAB9A (0.48) SMN1; SMN2RAB9ANPC1POLBMAPK1
SCHEMBL7877444 0.81 SMN1; SMN2 (0.70) SMN1; SMN2RAB9ANPC1GRM5TDP1
SCHEMBL23880068 0.81 SCN9A (0.49) SMN1; SMN2TDP1ALDH1A1HPGDSCN9A
SCHEMBL25972070 0.80 ALDH1A1 (0.49) SMN1; SMN2POLBGRM5TDP1ALDH1A1
SCHEMBL25972086 0.80 ALDH1A1 (0.44) SMN1; SMN2TDP1ALDH1A1HPGDSCN9A
SCHEMBL13210615 0.79 SMN1; SMN2 (1.00) SMN1; SMN2RAB9APOLBGRM5MAPK1
SCHEMBL3186273 0.79 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1POLBMAPK1
SCHEMBL23880060 0.78 SCN9A (0.46) SMN1; SMN2ALDH1A1HPGDSCN9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169246-B2 Pyrazoloquinolinone derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-10-27 — — US disclosed
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-08-21 — — US disclosed
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-28 — — US disclosed
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-28 — — US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 — — US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 — — US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 — — US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 — — US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 — — 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 SMN1; SMN2 3557/4885RAB9A 3036/4885NPC1 1293/4885
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, COQ8A, CYP1A2 SMN1; SMN2 1132/4885RAB9A 855/4885NPC1 365/4885
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, CYP1A2, COQ8A SMN1; SMN2 1192/4885RAB9A 813/4885NPC1 418/4885

“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.

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