SCHEMBL16264683

SCHEMBL16264683

CC(=O)c1cc2c([nH]c1=O)CCN(Cc1ccccc1)C2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.49
AKR1B1 P15121 1/20 0.47
ACHE P22303 5/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDR P35968 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL9256480 0.91 HPGD (0.51) SLC6A5AKR1B1ACHEMEN1KMT2A
Hydrochloric Acid SCHEMBL4793706 0.89 HPGD (0.50) SLC6A5AKR1B1ACHEMEN1KMT2A
SCHEMBL31376614 0.88 MEN1 (0.50) SLC6A5AKR1B1ACHEMEN1KMT2A
SCHEMBL8561824 0.86 SLC6A5 (0.47) SLC6A5AKR1B1ACHEMEN1KMT2A
SCHEMBL8563163 0.86 MEN1 (0.48) SLC6A5AKR1B1ACHEMEN1KMT2A
SCHEMBL8628851 0.84 SLC6A5 (0.41) SLC6A5AKR1B1ACHEMEN1KMT2A
SCHEMBL16264684 0.84 SLC6A5 (0.45) SLC6A5AKR1B1ACHEMEN1KMT2A
SCHEMBL8567999 0.83 SLC6A5 (0.43) SLC6A5AKR1B1ACHEMEN1KMT2A
SCHEMBL8566446 0.82 SLC6A5 (0.42) SLC6A5AKR1B1ACHEMEN1KMT2A
SCHEMBL16264682 0.82 SLC6A5 (0.54) SLC6A5AKR1B1ACHEMEN1KMT2A

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-9162983-B2 Reactivators of organophosphorous inhibited acetylcholinesterase SOUTHWEST RESEARCH INSTITUTE (US) 2015-10-20 US disclosed
US-20140350262-A1 Reactivators Of Organophosphorous Inhibited Acetylcholinesterase SOUTHWEST RESEARCH INSTITUTE (US) 2014-11-27 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-20140350262-A1 Reactivators Of Organophosphorous Inhibited Acetylcholinesterase ACHE, BCHE, CHAT SLC6A5 2860/4885AKR1B1 1445/4885ACHE 1/4885

“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.