SCHEMBL16786362

SCHEMBL16786362

Cc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.73
SMN1; SMN2 Q16637 7/20 0.73
GAA P10253 3/20 0.62
ACHE P22303 1/20 0.62
HSD17B10 Q99714 1/20 0.62
LMNA P02545 6/20 0.60
MAPT P10636 6/20 0.60
HTT P42858 6/20 0.60
ALOX12 P18054 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
NPC1 O15118 1/20 0.59
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
GLA P06280 1/20 0.58
HPGD P15428 2/20 0.57
PKM P14618 1/20 0.57
KDM4E B2RXH2 2/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56

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
SCHEMBL6301912 0.91 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2GAALMNAMAPT
SCHEMBL14633632 0.91 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2GAALMNAMAPT
SCHEMBL6297678 0.86 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2GAALMNAMAPT
SCHEMBL10311765 0.85 NPC1 (0.58) ALDH1A1SMN1; SMN2GAAACHEHSD17B10
SCHEMBL6815786 0.85 MAPT (0.76) ALDH1A1SMN1; SMN2GAALMNAMAPT
SCHEMBL5078630 0.84 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2GAAHSD17B10LMNA
SCHEMBL4115432 0.84 MEN1 (0.82) SMN1; SMN2GAAACHEHSD17B10LMNA
SCHEMBL4050791 0.84 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2GAAHSD17B10LMNA
SCHEMBL30542215 0.83 MEN1 (0.80) ALDH1A1SMN1; SMN2GAALMNAMAPT
SCHEMBL1314972 0.83 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2GAALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150160242-A1 POLYMER MATRIX WITH TARGET BINDING SITE FOR CREATININE AND DERIVATIVES THEREOF, ITS PREPARATION AND USES FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2015-06-11 US disclosed
US-20150160242-A1 POLYMER MATRIX WITH TARGET BINDING SITE FOR CREATININE AND DERIVATIVES THEREOF, ITS PREPARATION AND USES FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2015-06-11 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 (1 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-20150160242-A1 POLYMER MATRIX WITH TARGET BINDING SITE FOR CREATININE AND DERIVATIVES THEREOF, ITS PREPARATION AND USES REN, AGER, SHBG ALDH1A1 3481/4885SMN1; SMN2 4472/4885GAA 1328/4885

“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.