SCHEMBL8948339

SCHEMBL8948339

COC(=O)C(Br)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KCNA5 P22460 6/20 0.47
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.44
CYP17A1 P05093 1/20 0.44
CYP19A1 P11511 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TBXAS1 P24557 1/20 0.43
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
PDE4D Q08499 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3467316 0.84 GAA (0.48) ALDH1A1KCNA5KDM4EGAACYP17A1
SCHEMBL13924228 0.84 GAA (0.48) ALDH1A1KCNA5KDM4EGAACYP17A1
SCHEMBL5747154 0.84 ALDH1A1 (0.46) ALDH1A1KCNA5KMT2AKDM4EPOLB
SCHEMBL9313982 0.83 ALDH1A1 (0.51) ALDH1A1KCNA5KMT2AKDM4EGAA
SCHEMBL9462640 0.83 RAB9A (0.43) KCNA5POLBCYP17A1CYP19A1SMN1; SMN2
Bromide SCHEMBL5747147 0.83 ALDH1A1 (0.45) ALDH1A1KCNA5KMT2AKDM4EPOLB
SCHEMBL28421108 0.81 CYP19A1 (0.58) ALDH1A1KCNA5KMT2AKDM4EGAA
SCHEMBL3048419 0.81 ALDH1A1 (0.50) ALDH1A1KCNA5KMT2AKDM4EGAA
SCHEMBL7260309 0.80 SMN1; SMN2 (0.55) ALDH1A1KCNA5KDM4EGAASMN1; SMN2
SCHEMBL30430689 0.80 ALDH1A1 (0.49) ALDH1A1KCNA5KMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014901-B2 Hydrophobic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
EP-3583091-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
US-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-02-20 US disclosed
US-5585391-A Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions, compositions employing these agents, therapeutic methods for using such agents and processes for preparing them FHJ SCIENTIFIC, INC. (US) 1996-12-17 US disclosed
US-5574050-A Hydroxyl ions as unique therapeutic agents and processes for preparing them FHJ SCIENTIFIC, INC. (US) 1996-11-12 US disclosed
EP-0725636-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1996-08-14 EP disclosed
US-5514808-A Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions FHJ SCIENTIFIC, INC (US) 1996-05-07 US disclosed
WO-1995010272-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1995-04-20 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 (2 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-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES UACA, CRYZ, TRPA1 ALDH1A1 1851/4885KCNA5 355/4885KMT2A 4264/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 ALDH1A1 1851/4885KCNA5 355/4885KMT2A 4264/4885

“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.