SCHEMBL5802273

SCHEMBL5802273

Nc1nsc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 4/20 0.46
CYP3A4 P08684 3/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
G6PD P11413 1/20 0.41
TLR9 Q9NR96 1/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MIF P14174 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL216931 1.00 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL31165708 0.80 SMN1; SMN2 (0.46) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL6589360 0.80 TXNRD1 (0.49) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL2978051 0.80 HSD17B10 (0.46) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL4040996 0.80 SMN1; SMN2 (0.46) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL12868738 0.76 TXNRD1 (0.41) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL6770996 0.76 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4MAPTKDM4E
SCHEMBL6587072 0.76 VCAM1 (0.43) ALDH1A1TDP1CYP3A4TSHRMAPT
Hydrochloric Acid SCHEMBL6770644 0.75 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4MAPTKDM4E
SCHEMBL11208894 0.75 MAPT (0.59) ALDH1A1MAPTG6PDTLR9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115044226-A 3-amino-5-nitrobenzoisothiazole-based dye and preparation method thereof 金塔县晋泰森新材料科技有限公司 2022-09-13 CN claimed
CN-114989088-A Meta-aramid fiber color development method and used treating agent 浙江理工大学 2022-09-02 CN claimed
CN-114836997-A In-situ coupling color development method of meta-aramid and obtained color development aramid 浙江理工大学 2022-08-02 CN claimed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO claimed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
EP-4658264-A2 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TO INHIBIT PROTEIN AGGREGATION Purdue Research Foundation (US) 2025-12-10 EP disclosed
WO-2024163907-A2 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TO INHIBIT PROTEIN AGGREGATION PURDUE RESEARCH FOUNDATION (US) 2024-08-08 WO disclosed
CN-114989088-A Meta-aramid fiber color development method and used treating agent 浙江理工大学 2022-09-02 CN disclosed
CN-114836997-A In-situ coupling color development method of meta-aramid and obtained color development aramid 浙江理工大学 2022-08-02 CN disclosed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US disclosed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 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 (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-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 ALDH1A1 1117/4885TDP1 4229/4885CYP3A4 1405/4885

“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.