SCHEMBL2328248

SCHEMBL2328248

Cn1c(-c2ccnnc2)n[nH]c1=S

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.60
LMNA P02545 1/20 0.60
KDM4E B2RXH2 6/20 0.54
APOBEC3G Q9HC16 5/20 0.54
TDP1 Q9NUW8 5/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
POLB P06746 2/20 0.54
ALOX15 P16050 1/20 0.54
PKM P14618 1/20 0.49
TSHR P16473 2/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BCHE P06276 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 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
SCHEMBL1544475 0.81 HSD17B10 (0.71) HSD17B10LMNAKDM4EAPOBEC3GTDP1
SCHEMBL1544025 0.80 TDP1 (0.68) HSD17B10LMNAKDM4EAPOBEC3GTDP1
SCHEMBL1545303 0.79 TDP1 (0.67) HSD17B10LMNAKDM4EAPOBEC3GTDP1
SCHEMBL4878039 0.77 HSD17B10 (0.65) HSD17B10LMNAKDM4EAPOBEC3GTDP1
SCHEMBL919250 0.75 HSD17B10 (0.73) HSD17B10LMNAKDM4EAPOBEC3GTDP1
SCHEMBL1544445 0.72 HSD17B10 (0.74) HSD17B10LMNAKDM4EAPOBEC3GTDP1
SCHEMBL2893202 0.69 HSD17B10 (0.59) HSD17B10LMNAKDM4EAPOBEC3GTDP1
SCHEMBL2311265 0.69 ALDH1A1 (0.66) HSD17B10LMNAKDM4EAPOBEC3GTDP1
SCHEMBL5050462 0.68 ALDH1A1 (0.54) HSD17B10LMNAKDM4EAPOBEC3GTDP1
SCHEMBL31119462 0.68 ALDH1A1 (0.60) HSD17B10LMNAKDM4EAPOBEC3GTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2070922-B1 Azabicyclo(3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LTD (GB) 2011-08-17 EP claimed
EP-2070922-A1 Azabicyclo(3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2009-06-17 EP claimed
US-20210053957-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-25 US disclosed
US-20210053957-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-25 US disclosed
EP-3774779-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 EP disclosed
CN-111836806-A Herbicidal compounds 先正达参股股份有限公司 2020-10-27 CN disclosed
WO-2019185875-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-03 WO disclosed
WO-2019185875-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-03 WO disclosed
EP-2007747-B1 PROCESS FOR PREPARING HETEROCYCLIC DERIVATIVES GLAXO GROUP LTD (GB) 2013-11-20 EP disclosed
US-7838680-B2 Process for preparing heterocyclic derivatives GLAXO GROUP LIMITED (GB) 2010-11-23 US disclosed
US-20100048895-A1 Process for Preparing Heterocyclic Derivatives GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
US-20070232808-A1 PROCESS FOR PREPARING HETEROCYCLIC DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-10-04 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 (3 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-20210053957-A1 HERBICIDAL COMPOUNDS DDT, ACHE, GSTO1 HSD17B10 184/4885LMNA 3858/4885KDM4E 1233/4885
US-20100048895-A1 Process for Preparing Heterocyclic Derivatives HCAR3, CBR3, HRH4 HSD17B10 1010/4885LMNA 3599/4885KDM4E 4425/4885
US-20070232808-A1 PROCESS FOR PREPARING HETEROCYCLIC DERIVATIVES HCAR3, CBR3, NR4A3 HSD17B10 949/4885LMNA 3444/4885KDM4E 4646/4885

“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.