SCHEMBL1574747

SCHEMBL1574747

O=C(O)c1ccc2nc(Cl)cnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
CDH1 P12830 1/20 0.54
APC P25054 1/20 0.54
CTNNB1 P35222 1/20 0.54
TCF7L2 Q9NQB0 1/20 0.54
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
GAA P10253 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NAPRT Q6XQN6 1/20 0.50
MAPT P10636 2/20 0.46
MGAM O43451 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL29967657 1.00 TDP1 (0.54) TDP1CDH1APCCTNNB1TCF7L2
Hydrochloric Acid SCHEMBL11208994 0.98 TDP1 (0.53) TDP1CDH1APCCTNNB1TCF7L2
SCHEMBL11144403 0.93 TDP1 (0.54) TDP1CDH1APCCTNNB1TCF7L2
SCHEMBL29967465 0.93 TDP1 (0.54) TDP1CDH1APCCTNNB1TCF7L2
Hydrochloric Acid SCHEMBL10584298 0.92 TDP1 (0.53) TDP1CDH1APCCTNNB1TCF7L2
SCHEMBL5007899 0.86 ALDH1A1 (0.46) TDP1CDH1APCCTNNB1TCF7L2
SCHEMBL25527753 0.85 ALDH1A1 (0.49) TDP1CDH1APCCTNNB1TCF7L2
SCHEMBL15060475 0.81 GSK3B (0.46) CDH1APCCTNNB1TCF7L2RAB9A
SCHEMBL21818455 0.81 HTT (0.52) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL11088871 0.81 ALDH1A1 (0.62) TDP1CDH1APCCTNNB1TCF7L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3614141-B1 STABLE URINE INDICATOR WITH LONG-TERM DETECTION AND METHOD FOR ITS PREPARATION AXAGARIUS GMBH & CO KG (DE) 2022-10-05 EP claimed
US-20200064317-A1 Stable Urine Indicator with Long-Term Detection AXAGARIUS GMBH & CO. KG (DE) 2020-02-27 US claimed
US-20200064317-A1 Stable Urine Indicator with Long-Term Detection AXAGARIUS GMBH & CO. KG (DE) 2020-02-27 US disclosed
EP-1751149-B1 BICYCLIC-SUBSTITUTED AMINES HAVING CYCLIC-SUBSTITUTED MONOCYCLIC SUBSTITUENTS ABBOTT LAB (US) 2012-06-06 EP disclosed
EP-1751149-B1 BICYCLIC-SUBSTITUTED AMINES HAVING CYCLIC-SUBSTITUTED MONOCYCLIC SUBSTITUENTS ABBOTT LAB (US) 2012-06-06 EP disclosed
EP-2308873-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents Abbott Laboratories (US) 2011-04-13 EP disclosed
EP-2308873-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents Abbott Laboratories (US) 2011-04-13 EP disclosed
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
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
EP-1751149-A1 BICYCLIC-SUBSTITUTED AMINES HAVING CYCLIC-SUBSTITUTED MONOCYCLIC SUBSTITUENTS ABBOTT LABORATORIES (US) 2007-02-14 EP disclosed
US-7098222-B2 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents ABBOTT LABORATORIES (US) 2006-08-29 US disclosed
US-20050272736-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands ABBVIE INC. 2005-12-08 US disclosed
US-20050272728-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents 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
WO-2005113551-A1 BICYCLIC-SUBSTITUTED AMINES HAVING CYCLIC-SUBSTITUTED MONOCYCLIC SUBSTITUENTS 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
US-20050256118-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents ABBOTT LABORATORIES 2005-11-17 US disclosed
US-4386935-A Process for producing discharge reserve prints on textile materials with amino-azo-benzene dyes CASSELLA AKTIENGESELLSCHAFT (DE) 1983-06-07 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 (4 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 TDP1 4509/4885CDH1 4193/4885APC 3505/4885
US-20050272728-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents HRH3, HRH4, HRH2 TDP1 4628/4885CDH1 3816/4885APC 2526/4885
US-20050256118-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents HRH3, HRH4, HRH2 TDP1 4628/4885CDH1 3816/4885APC 2526/4885
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands HRH3, HRH4, HRH2 TDP1 4509/4885CDH1 4193/4885APC 3505/4885

“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.