SCHEMBL5380803

SCHEMBL5380803

S=C=Nc1ccc(N=C=S)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
CYP3A4 P08684 2/20 0.68
HPGD P15428 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
ABCB11 O95342 1/20 0.68
NR3C1 P04150 1/20 0.68
CYP1A2 P05177 1/20 0.68
ADRA2A P08913 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
ALOX15 P16050 1/20 0.68
ADRA2C P18825 1/20 0.68
MAOA P21397 1/20 0.68
DRD1 P21728 1/20 0.68
SLC6A4 P31645 1/20 0.68
HTR2B P41595 1/20 0.68
CCR2 P41597 1/20 0.68
HSD17B10 Q99714 1/20 0.68
MIF P14174 6/20 0.50
POLB P06746 2/20 0.41
APLNR P35414 1/20 0.38

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
SCHEMBL1997655 0.90 ALDH1A1 (0.75) ALDH1A1CYP3A4HPGDTDP1ABCB11
SCHEMBL2976682 0.87 ALDH1A1 (0.55) ALDH1A1CYP3A4HPGDTDP1ABCB11
SCHEMBL6390165 0.87 ALDH1A1 (0.55) ALDH1A1CYP3A4HPGDTDP1ABCB11
SCHEMBL6392900 0.87 CYP1A2 (0.55) ALDH1A1CYP3A4HPGDTDP1ABCB11
SCHEMBL3205617 0.84 ALDH1A1 (0.52) ALDH1A1CYP3A4HPGDTDP1ABCB11
SCHEMBL29825554 0.82 ALDH1A1 (0.50) ALDH1A1CYP3A4HPGDTDP1ABCB11
SCHEMBL6395292 0.82 ALDH1A1 (0.50) ALDH1A1CYP3A4HPGDTDP1ABCB11
SCHEMBL592754 0.82 ALDH1A1 (0.50) ALDH1A1CYP3A4HPGDTDP1ABCB11
1-Naphthylisothiocyanate SCHEMBL29354904 0.81 ALDH1A1 (1.00) ALDH1A1CYP3A4HPGDTDP1ABCB11
1-Naphthylisothiocyanate SCHEMBL419795 0.81 ALDH1A1 (1.00) ALDH1A1CYP3A4HPGDTDP1ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11648319-B2 rAAV with chemically modified capsid CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2023-05-16 US disclosed
US-20220193252-A1 RAAV WITH CHEMICALLY MODIFIED CAPSID CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2022-06-23 US disclosed
US-20210205467-A1 RAAV WITH CHEMICALLY MODIFIED CAPSID CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2021-07-08 US disclosed
US-7214762-B1 Redox-active polymer and electrode comprising the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-05-08 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-20210205467-A1 RAAV WITH CHEMICALLY MODIFIED CAPSID IGF2R, CFH, M6PR ALDH1A1 174/4885CYP3A4 2960/4885HPGD 4633/4885
US-11648319-B2 rAAV with chemically modified capsid IGF2R, CFH, M6PR ALDH1A1 174/4885CYP3A4 2960/4885HPGD 4633/4885
US-20220193252-A1 RAAV WITH CHEMICALLY MODIFIED CAPSID CFH, IGF2R, M6PR ALDH1A1 191/4885CYP3A4 2855/4885HPGD 4718/4885

“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.