SCHEMBL3457347

SCHEMBL3457347

O=C1NC(=S)N2CCCC12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 5/20 0.51
MAPT P10636 4/20 0.51
GAA P10253 3/20 0.51
KMT2A Q03164 6/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 3/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PARP1 P09874 4/20 0.41
CHEK1 O14757 1/20 0.40
MAP2K1 Q02750 1/20 0.40

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
SCHEMBL21359608 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL4538351 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL15835183 0.76 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL3322085 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL7981536 0.68 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL7968278 0.68 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL10502579 0.68 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL12228286 0.68 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL21736595 0.68 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL21736594 0.68 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258703-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands Abbott Laboratories (US) 2010-12-08 EP disclosed
US-7205316-B2 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2007-04-17 US disclosed
EP-1751130-A2 TRI- AND BI-CYCLIC HETEROARYL HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2007-02-14 EP disclosed
US-20050272736-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands ABBVIE INC. 2005-12-08 US disclosed
WO-2005113536-A2 TRI- AND BI-CYCLIC HETEROARYL HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2005-12-01 WO disclosed
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands ABBOTT LABORATORIES 2005-11-17 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 (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-20050272736-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands HRH3, HRH4, HRH2 ALDH1A1 3121/4885KDM4E 2908/4885MAPT 3820/4885
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands HRH3, HRH4, HRH2 ALDH1A1 3121/4885KDM4E 2908/4885MAPT 3820/4885

“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.