SCHEMBL2689490

SCHEMBL2689490

COc1ccc([N+](=O)[O-])c(N2CCC(C(=O)O)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
POLB P06746 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RHOA P61586 1/20 0.52
TXNRD1 Q16881 6/20 0.49
MAPT P10636 6/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NEK2 P51955 4/20 0.44
MAPK1 P28482 3/20 0.44
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
PAX8 Q06710 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5219253 0.85 TXNRD1 (0.47) TDP1POLBL3MBTL1TXNRD1MAPT
Hydrochloric Acid SCHEMBL5220902 0.83 TXNRD1 (0.49) TDP1POLBTXNRD1MAPTALDH1A1
SCHEMBL2421463 0.82 ALDH1A1 (0.64) TDP1POLBTXNRD1MAPTALDH1A1
SCHEMBL5752857 0.82 ALDH1A1 (0.64) TDP1POLBTXNRD1MAPTALDH1A1
SCHEMBL5134790 0.82 RHOA (0.46) TDP1POLBL3MBTL1RHOATXNRD1
SCHEMBL1070995 0.81 GPR119 (0.43) TDP1POLBL3MBTL1RHOAMAPT
SCHEMBL6509373 0.81 TXNRD1 (0.47) TDP1POLBTXNRD1MAPTALDH1A1
SCHEMBL6229685 0.80 RHOA (0.44) TDP1POLBL3MBTL1RHOAMAPT
SCHEMBL1252463 0.80 TRPV1 (0.54) TXNRD1MAPTALDH1A1NPSR1
SCHEMBL30435070 0.80 SIRT6 (0.54) TDP1POLBTXNRD1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168827-B2 Amide derivative AJINOMOTO CO., INC. (JP) 2012-05-01 US disclosed
US-20090258900-A1 AMIDE DERIVATIVE AJINOMOTO CO. INC (JP) 2009-10-15 US disclosed
US-7572815-B2 Amide derivative AJINOMOTO CO., INC. (JP) 2009-08-11 US disclosed
US-20060128755-A1 Amide derivative AJINOMOTO CO. INC (JP) 2006-06-15 US disclosed
EP-1627869-A1 AMIDE DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-02-22 EP 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-20060128755-A1 Amide derivative NR0B1, NR0B2, NR1I3 TDP1 4764/4885POLB 367/4885L3MBTL1 3641/4885
US-20090258900-A1 AMIDE DERIVATIVE NR0B1, NR0B2, NR1I3 TDP1 4806/4885POLB 408/4885L3MBTL1 3307/4885

“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.