SCHEMBL1625314

SCHEMBL1625314

COc1cc(Nc2nc(C)cc(C)c2[N+](=O)[O-])ccc1C(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 3/20 0.40
MAPT P10636 7/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
ABCG2 Q9UNQ0 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TYMS P04818 1/20 0.36
PKM P14618 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
SCHEMBL1625311 1.00 TSHR (0.42) TSHRTDP1MAPTKMT2AMEN1
SCHEMBL1625732 0.89 MAPT (0.42) TDP1MAPTKMT2AMEN1ALDH1A1
SCHEMBL1625731 0.89 MAPT (0.42) TDP1MAPTKMT2AMEN1ALDH1A1
SCHEMBL1626349 0.86 MAPT (0.42) TDP1MAPTKMT2AMEN1ALDH1A1
SCHEMBL1626347 0.86 MAPT (0.42) TDP1MAPTKMT2AMEN1ALDH1A1
SCHEMBL1624716 0.83 TSHR (0.45) TSHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL3948819 0.81 AMY1A (0.43) TSHRTDP1MAPTKMT2AMEN1
SCHEMBL3948824 0.81 AMY1A (0.43) TSHRTDP1MAPTKMT2AMEN1
SCHEMBL27226711 0.72 KMT2A (0.46) TDP1MAPTKMT2AMEN1ALDH1A1
SCHEMBL3949648 0.72 MAPT (0.43) TDP1MAPTKMT2AMEN1ALDH1A1

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-7928119-B2 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER INC. (US) 2011-04-19 US disclosed
US-7141580-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2006-11-28 US disclosed
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2004-09-16 US disclosed
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PFIZER PHARMACEUTICALS INC. (JP) 2002-06-20 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 (2 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-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 TSHR 4590/4885TDP1 4478/4885MAPT 3288/4885
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PTGER4, PTGER1, PTGER2 TSHR 351/4885TDP1 3985/4885MAPT 4854/4885

“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.