SCHEMBL3197320

SCHEMBL3197320

COc1ccccc1Cc1cc2ccc(Cl)cc2nc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.49
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADCY10 Q96PN6 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TLR8 Q9NR97 1/20 0.44
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNH2 Q12809 1/20 0.42
CSNK1D P48730 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL4718157 0.90 IDO1 (0.49) IDO1MAPTALDH1A1L3MBTL1ADCY10
SCHEMBL3218775 0.86 MAPT (0.41) IDO1MAPTTP53ALDH1A1L3MBTL1
SCHEMBL3208174 0.86 ALDH1A1 (0.53) MAPTALDH1A1L3MBTL1ADCY10SMN1; SMN2
SCHEMBL3220325 0.86 PLA2G2A (0.46) IDO1MAPTALDH1A1ADCY10SMN1; SMN2
SCHEMBL3218795 0.85 TLR8 (0.62) ADCY10TLR8ADORA3ADORA2AADORA1
SCHEMBL3196286 0.84 TLR8 (0.49) IDO1MAPTTP53ALDH1A1ADCY10
SCHEMBL3222013 0.84 TLR8 (0.43) MAPTTP53ALDH1A1ADCY10SMN1; SMN2
SCHEMBL3215535 0.82 DPP4 (0.39) MAPTTP53SMN1; SMN2KDM4ENPSR1
SCHEMBL3220931 0.82 TLR8 (0.43) IDO1MAPTL3MBTL1ADCY10TLR8
SCHEMBL3222782 0.80 TLR8 (0.44) ADCY10TLR8ADORA3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 US disclosed
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 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 (2 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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C IDO1 358/4885MAPT 73/4885TP53 3150/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C IDO1 358/4885MAPT 73/4885TP53 3150/4885

“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.