SCHEMBL3208097

SCHEMBL3208097

COc1cccc(OC)c1CN1Cc2ccccc2N=C1SC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
ADRA2A P08913 2/20 0.36
ADRA2B P18089 1/20 0.36
DRD2 P14416 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 3/20 0.33
TACR1 P25103 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CCR3 P51677 1/20 0.33

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
SCHEMBL3197285 0.88 GRIN2B (0.41) USP2ADRA2AADRA2BSIGMAR1MEN1
SCHEMBL4714175 0.82 SIGMAR1 (0.44) USP2ADRA2BSIGMAR1L3MBTL1ALDH1A1
Acetic Acid SCHEMBL3216929 0.76 SIGMAR1 (0.42) SIGMAR1MEN1KMT2AALDH1A1MAPK1
SCHEMBL4715041 0.75 EGFR (0.39) USP2ADRA2AADRA2BDRD2MEN1
Hydrochloric Acid SCHEMBL3214937 0.75 EGFR (0.38) USP2ADRA2AADRA2BDRD2MEN1
SCHEMBL4715098 0.74 HPGD (0.42) MEN1KMT2AALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL3209458 0.73 HPGD (0.41) MEN1KMT2AALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL3198092 0.72 MAPK1 (0.35) DRD2MEN1KMT2AMAPTMAPK1
SCHEMBL4717086 0.72 SMN1; SMN2 (0.42) USP2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4714040 0.72 MEN1 (0.41) MEN1KMT2AL3MBTL1ALDH1A1KDM4E

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 USP2 3233/4885ADRA2A 249/4885ADRA2B 223/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C USP2 3233/4885ADRA2A 249/4885ADRA2B 223/4885

“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.