SCHEMBL3633893

SCHEMBL3633893

Fc1ccccc1NCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ERBB2 P04626 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
ACP1 P24666 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3637494 0.86 ERBB2 (0.45) ERBB2L3MBTL1LMNAGAAACP1
SCHEMBL3639433 0.86 ERBB2 (0.45) ERBB2L3MBTL1ACP1KDM4EKMT2A
SCHEMBL3637638 0.85 KDM4E (0.40) L3MBTL1KDM4ECLK1DYRK1AKDR
SCHEMBL3639652 0.84 ERBB2 (0.48) ERBB2L3MBTL1GAAACP1KDM4E
SCHEMBL3640538 0.82 SLC6A4 (0.44) ERBB2ACP1SLC6A2SLC6A4SLC6A3
SCHEMBL3636134 0.82 P2RX7 (0.40) ERBB2L3MBTL1ACP1KDM4ECXCR2
SCHEMBL3632483 0.82 TP53 (0.43) ERBB2L3MBTL1LMNAGAAACP1
SCHEMBL3641215 0.81 MAPT (0.44) MAPTCLK1DYRK1AKIF11
SCHEMBL3636665 0.81 TRPV1 (0.39) L3MBTL1GAAACP1KDM4EMAPT
SCHEMBL3639667 0.81 KIF11 (0.41) HDAC1HDAC8HDAC6ACP1KDM4E

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 HDAC1 658/4885HDAC8 1046/4885HDAC6 721/4885

“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.