SCHEMBL3198015

SCHEMBL3198015

COc1cccc(OC)c1CN1Cc2ccc(Br)cc2N=C1N

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSD P07339 9/20 0.42
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.33
HSD17B3 P37058 1/20 0.33
SPIN1 Q9Y657 1/20 0.32
DHPS P49366 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4719286 0.87 CTSD (0.43) CTSDKDM4EALDH1A1SPIN1
SCHEMBL3209339 0.86 CTSD (0.57) CTSDKDM4EALDH1A1MAPT
SCHEMBL4715532 0.84 CTSD (0.48) CTSDKDM4EALDH1A1MAPT
SCHEMBL4714175 0.84 SIGMAR1 (0.44) CTSDKDM4ETDP1ALDH1A1POLB
SCHEMBL4718491 0.83 CTSD (0.40) CTSD
Acetic Acid SCHEMBL3207125 0.81 CTSD (0.39) CTSDTDP1MAPTL3MBTL1
SCHEMBL4714576 0.80 APLNR (0.38) CTSDKDM4EALDH1A1MAPT
SCHEMBL4716955 0.80 HCRTR1 (0.42) CTSD
Acetic Acid SCHEMBL3263693 0.80 CTSD (0.44) CTSDKDM4EALDH1A1HSD17B3
SCHEMBL3200551 0.79 CTSD (0.47) CTSDKDM4EALDH1A1DHPSMAPT

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 CTSD 3627/4885KDM4E 3028/4885TDP1 489/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C CTSD 3627/4885KDM4E 3028/4885TDP1 489/4885

“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.