SCHEMBL3587491

SCHEMBL3587491

Cn1ccc(CO)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
HTR7 P34969 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ATM Q13315 2/20 0.33
MAPT P10636 5/20 0.33
POLB P06746 4/20 0.33
ALDH1A1 P00352 4/20 0.33
TSHR P16473 3/20 0.33
LMNA P02545 3/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
AR P10275 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
F2R P25116 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
F2RL3 Q96RI0 1/20 0.31

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
SCHEMBL7559094 0.72 HTR7 (0.45) GAAHTR7KDM4EATMMAPT
SCHEMBL3586940 0.69 GAA (0.39) GAAKDM4EATMPOLBALDH1A1
SCHEMBL29541498 0.66 GAA (0.42) GAAMAPTALDH1A1TSHRCA12
SCHEMBL8439887 0.65 S100A4 (0.43) ALDH1A1TSHRCA12
SCHEMBL25106571 0.63 SMN1; SMN2 (0.39) MAPTALDH1A1TSHRLMNATHRB
SCHEMBL8482144 0.63 ALDH1A1 (0.52) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL23108224 0.62 MAPK1 (0.34) ATMMAPTPOLBALDH1A1TSHR
SCHEMBL11556761 0.62 L3MBTL1 (0.40) KDM4EATMMAPTPOLBALDH1A1
Methyl Alcohol SCHEMBL7290159 0.62 ALDH1A1 (0.66) POLBALDH1A1TSHRLMNAMEN1
SCHEMBL31332927 0.62 HDAC6 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 US disclosed
EP-2137169-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2009-12-30 EP disclosed
WO-2008110583-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-09-18 WO disclosed
EP-1173414-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2002-01-23 EP disclosed
WO-2000064864-A9 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RES CAMPAIGN TECH (GB) 2001-12-27 WO disclosed
WO-2000064864-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-11-02 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-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS HDAC3, HCCS, CCNH GAA 2542/4885HTR7 2810/4885KDM4E 1312/4885

“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.