SCHEMBL5845487

SCHEMBL5845487

C[C@@H](Cn1ncc2ccc(O)c([N+](=O)[O-])c21)NC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.46
HTR2C P28335 8/20 0.46
HTR2B P41595 4/20 0.46
POLB P06746 2/20 0.37
KMO O15229 1/20 0.37
HTT P42858 2/20 0.35
KMT2A Q03164 3/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL5638272 1.00 HTR2A (0.46) HTR2AHTR2CHTR2BPOLBKMO
SCHEMBL5638269 1.00 HTR2A (0.46) HTR2AHTR2CHTR2BPOLBKMO
SCHEMBL5845398 0.83 HTR2A (0.49) HTR2AHTR2CHTR2BKMOMAPK1
SCHEMBL5845389 0.83 HTR2A (0.49) HTR2AHTR2CHTR2BKMOMAPK1
SCHEMBL5637628 0.81 HTR2A (0.50) HTR2AHTR2CHTR2BKMOMAPK1
SCHEMBL5843663 0.81 HTR2C (0.53) HTR2AHTR2CHTR2BKMOMAPK1
SCHEMBL5843328 0.81 HTR2A (0.50) HTR2AHTR2CHTR2BKMOMAPK1
SCHEMBL4950336 0.81 HTR2A (0.49) HTR2AHTR2CHTR2BKMOMAPK1
SCHEMBL4948409 0.80 HTR2A (0.48) HTR2AHTR2CHTR2BKMOMAPK1
SCHEMBL5639490 0.78 HTR2A (0.46) HTR2AHTR2CHTR2BKMOHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129257-B1 Pyrazolo[3,4- e]benzoxazoles for the treatment of glaucoma ALCON, INC. (CH) 2006-10-31 US disclosed
US-20060069096-A1 Pyrazolo[3,4-e]benzoxazoles for the treatment of glaucoma DANTANARAYANA ANURA P 2006-03-30 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-20060069096-A1 Pyrazolo[3,4-e]benzoxazoles for the treatment of glaucoma PTGIR, PDE3A, TBXA2R HTR2A 3491/4885HTR2C 2389/4885HTR2B 2273/4885

“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.