SCHEMBL5049447

SCHEMBL5049447

O=C(NO)C(c1ccccc1)C1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1E P28566 3/20 0.71
S1PR3 Q99500 3/20 0.71
MEN1 O00255 2/20 0.71
LMNA P02545 2/20 0.71
KMT2A Q03164 2/20 0.71
MAPT P10636 1/20 0.71
HTT P42858 1/20 0.59
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CHRM3 P20309 3/20 0.54
KCNQ2 O43526 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52

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
SCHEMBL2844637 0.98 HTR1E (0.69) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL13923636 0.85 HTR1E (0.74) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL5746887 0.83 HTR1E (0.63) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL28622389 0.82 HTR1E (0.65) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL69127 0.82 HTR1E (0.65) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL28373611 0.82 HTR1E (0.65) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL9829773 0.81 HTR1E (0.64) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL5049558 0.81 HTR1E (0.64) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL2843429 0.81 ACHE (0.54) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL67219 0.80 HTR1E (0.63) HTR1ES1PR3MEN1LMNAKMT2A

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
EP-1948164-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP claimed
WO-2007045979-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO claimed
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 US disclosed
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 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-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS HELZ, MMEL1, GAA HTR1E 3272/4885S1PR3 4845/4885MEN1 3212/4885

“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.