SCHEMBL4592212

SCHEMBL4592212

CCc1ccc([N+](=O)[O-])c(CC)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 5/20 0.40
TDP1 Q9NUW8 5/20 0.40
PDK1 Q15118 1/20 0.40
FBP1 P09467 2/20 0.38
CYP3A4 P08684 3/20 0.38
RECQL P46063 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2337048 0.85 POLB (0.47) POLBHTTALDH1A1MAPTLMNA
SCHEMBL15173799 0.84 TSHR (0.49) POLBHTTALDH1A1MAPTLMNA
SCHEMBL8091152 0.82 PDK1 (0.42) POLBHTTALDH1A1MAPTLMNA
SCHEMBL15174224 0.81 TDP1 (0.48) POLBHTTALDH1A1MAPTLMNA
SCHEMBL6036699 0.79 ALDH1A1 (0.47) POLBHTTALDH1A1MAPTLMNA
SCHEMBL9206967 0.78 TSHR (0.44) POLBHTTALDH1A1MAPTLMNA
SCHEMBL9206958 0.78 TSHR (0.44) POLBHTTALDH1A1MAPTLMNA
SCHEMBL6834544 0.78 POLB (0.47) POLBHTTALDH1A1MAPTLMNA
SCHEMBL18862619 0.77 ALDH1A1 (0.41) POLBHTTALDH1A1MAPTTSHR
SCHEMBL6834458 0.76 ALDH1A1 (0.45) POLBHTTALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117430967-A High-dispersity permanent orange RN and preparation method and application thereof 济宁阳光化学有限公司 2024-01-23 CN claimed
CN-117430967-A High-dispersity permanent orange RN and preparation method and application thereof 济宁阳光化学有限公司 2024-01-23 CN disclosed
CN-115466198-A Method for recovering formaldehyde in production of methylene amide pesticides and application thereof 南通江山农药化工股份有限公司 2022-12-13 CN disclosed
US-8071810-B2 3-(3-Amino-2,6-diisopropyl-phenyl)-1-(4-isopropyl-phenyl)-1-(4-methoxy-benzyl)-urea; autoimmune disorders; inflammation JERINI AG (DE) 2011-12-06 US disclosed
US-8071810-B2 3-(3-Amino-2,6-diisopropyl-phenyl)-1-(4-isopropyl-phenyl)-1-(4-methoxy-benzyl)-urea; autoimmune disorders; inflammation JERINI AG (DE) 2011-12-06 US disclosed
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 US disclosed
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 US disclosed
CN-101189209-A C5a receptor antagonists JERINI AG (DE) 2008-05-28 CN disclosed
EP-1885691-A1 C5A RECEPTOR ANTAGONISTS Jerini AG (DE) 2008-02-13 EP disclosed
EP-1739078-A1 Antagonists of C5a-receptor Jerini AG (DE) 2007-01-03 EP disclosed
EP-1739078-A1 Antagonists of C5a-receptor Jerini AG (DE) 2007-01-03 EP disclosed
WO-2006128670-A1 C5A RECEPTOR ANTAGONISTS JERINI AG (DE) 2006-12-07 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-20080220003-A1 C5a Receptor Antagonists C3AR1, C5AR2, C5AR1 POLB 4807/4885HTT 1943/4885ALDH1A1 3680/4885

“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.