SCHEMBL4008749

SCHEMBL4008749

CC(C)(C(=O)O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.59
ALDH1A1 P00352 6/20 0.46
HTT P42858 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 4/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.42
GPR35 Q9HC97 1/20 0.42
THRB P10828 1/20 0.42
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL27602261 0.84 NPSR1 (0.58) NPSR1ALDH1A1HTTHSD17B10TDP1
SCHEMBL29931026 0.84 NPSR1 (0.58) NPSR1ALDH1A1HTTHSD17B10TDP1
SCHEMBL1695081 0.84 NPSR1 (0.58) NPSR1ALDH1A1HTTHSD17B10TDP1
SCHEMBL22090177 0.83 NPSR1 (0.60) NPSR1ALDH1A1HTTHSD17B10TDP1
SCHEMBL19130275 0.81 NPSR1 (0.55) NPSR1ALDH1A1HTTHSD17B10TDP1
SCHEMBL6809337 0.81 NPSR1 (0.55) NPSR1ALDH1A1HTTHSD17B10TDP1
SCHEMBL4009144 0.81 NPSR1 (0.77) NPSR1ALDH1A1HTTHSD17B10TDP1
SCHEMBL2956140 0.79 NPSR1 (0.60) NPSR1ALDH1A1HTTHSD17B10TDP1
SCHEMBL8331183 0.79 NPSR1 (0.60) NPSR1ALDH1A1HTTHSD17B10TDP1
SCHEMBL27651146 0.79 NPSR1 (0.56) NPSR1ALDH1A1HTTHSD17B10TDP1

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
WO-2024185697-A1 METHOD FOR PRODUCING POLYNUCLEOTIDE LINKED PRODUCT 国立大学法人東海国立大学機構 2024-09-12 WO disclosed
US-11661420-B2 Compound containing fused ring, use thereof and pharmaceutical composition containing same NANJING HEPO PHARMACEUTICAL CO., LTD (CN) 2023-05-30 US disclosed
CN-103736099-A Prodrug with nitrophenyl alkyl acid connected with alkaline antitumor drugs and preparation method thereof UNIV BEIJING 2014-04-23 CN disclosed
WO-2009080682-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2009080682-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
US-6130237-A Condensed N-aclyindoles as antitumor agents CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-10-10 US disclosed
EP-0938474-A2 CYCLOPROPYLINDOLE COMPOUNDS AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-09-01 EP disclosed
WO-1998011101-A2 CONDENSED N-ACLYINDOLES AS ANTITUMOR AGENTS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-03-19 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-11661420-B2 Compound containing fused ring, use thereof and pharmaceutical composition containing same HLA-B, HLA-A, SLC10A1 NPSR1 4510/4885ALDH1A1 2801/4885HTT 2016/4885

“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.