SCHEMBL3635890

SCHEMBL3635890

Cc1ccc(-c2nn(-c3ccccc3)cc2C=O)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 1.00
KDM4E B2RXH2 9/20 1.00
KMT2A Q03164 8/20 1.00
MEN1 O00255 7/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
PKM P14618 5/20 1.00
POLB P06746 4/20 1.00
RECQL P46063 2/20 1.00
RAB9A P51151 2/20 1.00
THRB P10828 1/20 1.00
CACNA1B Q00975 1/20 0.72
APBA1 Q02410 1/20 0.72
MAPT P10636 5/20 0.64
USP2 O75604 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
HPGD P15428 3/20 0.62
NPC1 O15118 1/20 0.62
PTGS2 P35354 1/20 0.61
HSD17B10 Q99714 2/20 0.54

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
SCHEMBL11607694 0.80 KMT2A (0.66) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL12892076 0.77 MEN1 (0.61) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL14133026 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL3447906 0.76 PTGS2 (1.00) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL11254624 0.76 PTGS2 (0.80) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL2560472 0.75 PTGS2 (0.73) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL719535 0.75 PTGS2 (0.63) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL28358360 0.74 PTGS2 (0.94) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL11610274 0.73 KMT2A (0.58) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL11248326 0.73 PTGS2 (0.74) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242933-B2 Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2 (mGlu2 receptor) AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-26 US disclosed
EP-2167464-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) Abbott GmbH & Co. KG (DE) 2010-03-31 EP disclosed
CN-101687790-A Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2(MGLU2 receptor) ABBOTT GMBH & CO KG 2010-03-31 CN disclosed
WO-2008145616-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBOTT GMBH & CO. KG (DE) 2008-12-04 WO disclosed
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-12-04 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 (1 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-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) GRM2, GRIN2C, GRM1 ALDH1A1 3335/4885KDM4E 1894/4885KMT2A 595/4885

“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.