SCHEMBL990992

SCHEMBL990992

CCCCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccc(N=C=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
HTR2A P28223 1/20 0.39
MMP14 P50281 1/20 0.39
ALDH1A1 P00352 3/20 0.39
AR P10275 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 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
SCHEMBL991365 0.77 KCNH2 (0.50) MAPTHTR2AKCNH2
SCHEMBL991664 0.76 KCNH2 (0.49) HTR2AKCNH2
SCHEMBL27880513 0.75 MAPT (0.58) MAPTMMP14ALDH1A1ARKCNH2
SCHEMBL29280745 0.72 ALDH1A1 (0.62) MAPTALDH1A1ARSMN1; SMN2L3MBTL1
SCHEMBL2479903 0.72 ALDH1A1 (0.50) MAPTHTR2AALDH1A1HTTL3MBTL1
SCHEMBL14415498 0.71 ALDH1A1 (0.52) MAPTHTR2AALDH1A1POLBSMN1; SMN2
SCHEMBL4599909 0.71 CRHBP (0.65) MAPTMMP14POLBSMN1; SMN2KCNH2
SCHEMBL2593861 0.70 ALDH1A1 (0.38) MAPTALDH1A1L3MBTL1CYP3A4
SCHEMBL4600334 0.69 CA12 (0.58) MAPTALDH1A1KCNH2CYP1A2RAB9A
SCHEMBL15618793 0.69 ALDH1A1 (0.55) MAPTHTR2AALDH1A1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2011-01-20 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 (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-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS SI, FUT6, B3GAT3 MAPT 4691/4885HTR2A 4843/4885MMP14 1797/4885

“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.