SCHEMBL5843328

SCHEMBL5843328

C[C@@H](Cn1ncc2ccc(O)c(Br)c21)NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.50
HTR2C P28335 13/20 0.50
HTR2B P41595 6/20 0.50
KMO O15229 4/20 0.39
MAPK1 P28482 2/20 0.35
HTR1A P08908 2/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
HTR1D P28221 1/20 0.34
HTR7 P34969 1/20 0.34
HTR4 Q13639 1/20 0.34
APAF1 O14727 1/20 0.34

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
SCHEMBL5637628 1.00 HTR2A (0.50) HTR2AHTR2CHTR2BKMOMAPK1
SCHEMBL5843663 0.85 HTR2C (0.53) HTR2AHTR2CHTR2BKMOMAPK1
SCHEMBL4950336 0.84 HTR2A (0.49) HTR2AHTR2CHTR2BKMOMAPK1
SCHEMBL5637368 0.84 ATM (0.43) HTR2AHTR2CHTR2B
SCHEMBL4951396 0.84 ATM (0.43) HTR2AHTR2CHTR2B
SCHEMBL4948409 0.83 HTR2A (0.48) HTR2AHTR2CHTR2BKMOMAPK1
SCHEMBL5845487 0.81 HTR2A (0.46) HTR2AHTR2CHTR2BKMOMAPK1
SCHEMBL5639490 0.81 HTR2A (0.46) HTR2AHTR2CHTR2BKMOMAPK1
SCHEMBL5638272 0.81 HTR2A (0.46) HTR2AHTR2CHTR2BKMOMAPK1
SCHEMBL5638269 0.81 HTR2A (0.46) HTR2AHTR2CHTR2BKMOMAPK1

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.