SCHEMBL751695

SCHEMBL751695

[CH2]c1nc(C(=O)OC)cs1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
ACHE P22303 1/20 0.49
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 5/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CRBN Q96SW2 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL14656020 0.80 ACHE (0.64) MAOAACHEMEN1MAPTKMT2A
SCHEMBL595766 0.78 MAOA (0.50) MAOAACHEMEN1MAPTKMT2A
SCHEMBL162485 0.78 MAOA (0.50) MAOAACHEMEN1MAPTKMT2A
SCHEMBL496467 0.78 MAOA (0.50) MAOAACHEMEN1MAPTKMT2A
SCHEMBL2643508 0.78
SCHEMBL9093673 0.77 MAOA (0.49) MAOAACHEMEN1MAPTKMT2A
SCHEMBL7977200 0.77 MAOA (0.49) MAOAACHEMEN1MAPTKMT2A
SCHEMBL230453 0.77 MAPT (0.65) MAOAACHEMEN1MAPTKMT2A
SCHEMBL9828607 0.77 MAOA (0.49) MAOAACHEMEN1MAPTKMT2A
SCHEMBL752655 0.77 HPGD (0.54) NPC1RAB9AGAAKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11992012-B2 Diaminotriazine compounds BASF SE (DE) 2024-05-28 US disclosed
US-20210186021-A1 DIAMINOTRIAZINE COMPOUNDS BASF SE (DE) 2021-06-24 US disclosed
EP-2430006-B1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-26 EP disclosed
EP-2430012-B1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-05 EP disclosed
US-8697883-B2 Cyclopenta[C]pyrrole-2-carboxylate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-04-15 US disclosed
EP-2430012-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP disclosed
WO-2010130945-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 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-20210186021-A1 DIAMINOTRIAZINE COMPOUNDS DDT, DAZAP1, DDC MAOA 233/4885ACHE 439/4885MEN1 3474/4885
US-11992012-B2 Diaminotriazine compounds DDT, DAZAP1, DDC MAOA 233/4885ACHE 439/4885MEN1 3474/4885

“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.