SCHEMBL16331307

SCHEMBL16331307

CC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[O-2]

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.98
BCHE P06276 4/20 0.98
MEN1 O00255 4/20 0.98
BLM P54132 4/20 0.98
KMT2A Q03164 4/20 0.98
KDM4E B2RXH2 3/20 0.98
CYP3A4 P08684 3/20 0.98
MAPT P10636 3/20 0.98
THRB P10828 3/20 0.98
HPGD P15428 3/20 0.98
CASP1 P29466 3/20 0.98
RECQL P46063 3/20 0.98
CASP7 P55210 3/20 0.98
CYP1A2 P05177 1/20 0.98
CYP2D6 P10635 1/20 0.98
CYP2C9 P11712 1/20 0.98
CYP2C19 P33261 1/20 0.98
TERT O14746 3/20 0.65
PABPC1 P11940 3/20 0.65
MITF O75030 2/20 0.65

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
SCHEMBL55279 0.99 ACHE (1.00) ACHEBCHEMEN1BLMKMT2A
SCHEMBL30379131 0.99 ACHE (1.00) ACHEBCHEMEN1BLMKMT2A
Hydrochloric Acid SCHEMBL5482694 0.98 ACHE (0.98) ACHEBCHEMEN1BLMKMT2A
Iodide SCHEMBL14996 0.98 ACHE (1.00) ACHEBCHEMEN1BLMKMT2A
Iodide SCHEMBL29527724 0.98 ACHE (1.00) ACHEBCHEMEN1BLMKMT2A
Iodide SCHEMBL29351886 0.98 ACHE (1.00) ACHEBCHEMEN1BLMKMT2A
Bromide SCHEMBL30669741 0.98 ACHE (0.98) ACHEBCHEMEN1BLMKMT2A
Bromide SCHEMBL290404 0.98 ACHE (0.98) ACHEBCHEMEN1BLMKMT2A
Water SCHEMBL9106337 0.97 ACHE (0.98) ACHEBCHEMEN1BLMKMT2A
SCHEMBL3629831 0.95 ACHE (0.92) ACHEBCHEMEN1BLMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117160276-A Rotor for biological reaction 河络新图生物科技(上海)有限公司 2023-12-05 CN disclosed
CN-109068628-B Herbicidal pesticide composition and herbicidal method using the same 组合化学工业株式会社 2021-09-03 CN disclosed
CN-113227255-A Foaming composition, foaming matrix and method 科发龙技术公司 2021-08-06 CN disclosed
EP-3100736-A1 SIRTUIN INDUCER, TISSUE REPAIRING AGENT, HEPATOCYTE GROWTH FACTOR INDUCER, TISSUE HOMEOSTASIS MAINTENANCE AGENT, AND TLR4 AGONIST, HAVING HYALURONIC ACID FRAGMENT AS ACTIVE INGREDIENT Hyaluronan Research Institute, Inc. (JP) 2016-12-07 EP disclosed
EP-2818172-A1 TLR4 AGENT, TISSUE HOMEOSTASIS AGENT, HEPATOCYTE GROWTH FACTOR INDUCER, TISSUE REPAIRING AGENT, AND SIRTUIN INDUCER HAVING HYALURONIC ACID FRAGMENTS AS ACTIVE INGREDIENTS THEREOF Hyaluronan Research Institute, Inc. (JP) 2014-12-31 EP disclosed
US-20110294772-A1 USE OF CYCLOSQUARAMIDE COMPOUNDS AS ANTI-TUMOUR AGENTS UNIVERSITAT DE LES ILLES BALEARS (ES) 2011-12-01 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-20110294772-A1 USE OF CYCLOSQUARAMIDE COMPOUNDS AS ANTI-TUMOUR AGENTS DCK, DTYMK, TYMS ACHE 242/4885BCHE 111/4885MEN1 3013/4885

“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.