SCHEMBL3208174

SCHEMBL3208174

COc1ccc2cc(Cc3ccccc3OC)c(N)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
POLB P06746 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 2/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
GFER P55789 1/20 0.47
DHFR P00374 3/20 0.46
KDM4E B2RXH2 3/20 0.46
TLR8 Q9NR97 1/20 0.46
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NCF1 P14598 1/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
NQO2 P16083 1/20 0.42
HSP90AB1 P08238 2/20 0.42

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
SCHEMBL3214978 0.90 TP53 (0.47) ALDH1A1POLBSMN1; SMN2MAPTMAPK1
Hydrochloric Acid SCHEMBL3208543 0.88 TP53 (0.46) ALDH1A1POLBSMN1; SMN2MAPTMAPK1
SCHEMBL3220325 0.87 PLA2G2A (0.46) ALDH1A1POLBSMN1; SMN2MAPTMAPK1
SCHEMBL3218795 0.86 TLR8 (0.62) TLR8MEN1KMT2AADORA3ADORA2A
SCHEMBL3197320 0.86 IDO1 (0.49) ALDH1A1POLBSMN1; SMN2MAPTMAPK1
SCHEMBL3196286 0.85 TLR8 (0.49) ALDH1A1MAPTMAPK1HTTDHFR
SCHEMBL3222013 0.85 TLR8 (0.43) ALDH1A1POLBSMN1; SMN2MAPTMAPK1
SCHEMBL3220931 0.83 TLR8 (0.43) MAPTMAPK1HTTDHFRTLR8
SCHEMBL3222782 0.81 TLR8 (0.44) DHFRTLR8TSHRMEN1KMT2A
SCHEMBL3217251 0.80 CSNK1D (0.46) ALDH1A1SMN1; SMN2MAPTDHFRKDM4E

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 ALDH1A1 1897/4885POLB 4491/4885SMN1; SMN2 1722/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C ALDH1A1 1897/4885POLB 4491/4885SMN1; SMN2 1722/4885

“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.