SCHEMBL2817604

SCHEMBL2817604

OC1CSCc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
HTR2A P28223 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ACP3 P15309 1/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HBB P68871 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL7299426 0.75 HTR2A (0.43) ALDH1A1GAASIGMAR1HTR2A
SCHEMBL25675926 0.75 HTR2A (0.43) ALDH1A1GAAHTR2AMAPTHPGD
SCHEMBL13198511 0.75 HTR2A (0.43) ALDH1A1GAAHTR2AMAPTHPGD
Hydrochloric Acid SCHEMBL7334906 0.73 HTR2A (0.42) ALDH1A1GAASIGMAR1HTR2AMAPT
SCHEMBL8349110 0.71 PDPK1 (0.55) SIGMAR1HTR2AMAOAMAOB
SCHEMBL8367487 0.71 ALDH1A1 (0.33) ALDH1A1GAAHTR2AMAPTHPGD
SCHEMBL25675942 0.71 PRCP (0.35) ALDH1A1GAASIGMAR1HTR2AMAPT
SCHEMBL12228571 0.70
SCHEMBL30968744 0.70
SCHEMBL16870529 0.70 GRIN2D (0.45) GRIN1GRIN2BHTR2AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230146483-A1 5-AMINO-8-(4-PYRIDYL)-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-3-ONE COMPOUNDS FOR USE AGAINST CANCER NXERA PHARMA UK LIMITED (GB) 2023-05-11 US disclosed
WO-2022074177-A1 DYNAMIC KINETIC RESOLUTION OF ALCOHOLS BY ENANTIOSELECTIVE SILYLATION Technische Universität Berlin (DE) 2022-04-14 WO disclosed
EP-3981773-A1 DYNAMIC KINETIC RESOLUTION OF ALCOHOLS BY ENANTIOSELECTIVE SILYLATION Technische Universität Berlin (DE) 2022-04-13 EP disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 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-20230146483-A1 5-AMINO-8-(4-PYRIDYL)-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-3-ONE COMPOUNDS FOR USE AGAINST CANCER ADORA2A, ADORA1, ADORA3 ALDH1A1 111/4885GAA 787/4885GRIN1 304/4885
US-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 ALDH1A1 289/4885GAA 671/4885GRIN1 2819/4885

“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.