SCHEMBL4455438

SCHEMBL4455438

CN(C)C(=O)Sc1ccc2ccc(SC(=O)N(C)C)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
ACHE P22303 1/20 0.40
NCEH1 Q6PIU2 1/20 0.36
EPHX1 P07099 1/20 0.36
RAB9A P51151 1/20 0.34
CYP2A6 P11509 2/20 0.33
GAA P10253 1/20 0.33
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
ANPEP P15144 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL30772981 1.00 ALDH1A1 (0.54) ALDH1A1ACHENCEH1EPHX1RAB9A
SCHEMBL11332669 0.90 ALDH1A1 (0.50) ALDH1A1ACHEEPHX1ANPEP
SCHEMBL20244667 0.84 ALDH1A1 (0.53) ALDH1A1ACHERAB9AHSD17B10MAPT
SCHEMBL10653467 0.84 LCK (0.46) ALDH1A1GAAHSD17B10MAPTL3MBTL1
SCHEMBL5750613 0.83 NCEH1 (0.57) ALDH1A1ACHENCEH1RAB9ACYP2A6
SCHEMBL9711113 0.82 ALDH1A1 (0.47) ALDH1A1ACHERAB9ACYP2A6MAPT
SCHEMBL24372708 0.80 ALDH1A1 (0.49) ALDH1A1ACHERAB9AGAA
SCHEMBL9352583 0.79 NCEH1 (0.45) ALDH1A1ACHENCEH1RAB9AMAPT
SCHEMBL2672772 0.79 CYP1A2 (0.44) ALDH1A1ACHEGAAHSD17B10CYP1A2
SCHEMBL11333864 0.79 ALDH1A1 (0.50) ALDH1A1ACHENCEH1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217926-A1 1,6-NAPHTHALENEDITHIOL PRODUCT AND PROCESS FOR PRODUCING THE SAME SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 2024-07-04 US disclosed
EP-4296264-A1 1,6-NAPHTHALENEDITHIOL AND METHOD FOR PRODUCING SAME SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 2023-12-27 EP disclosed
CN-117157277-A 1, 6-naphthalene dithiol and process for producing the same 菅井化学工业株式会社 2023-12-01 CN disclosed
WO-2023176299-A1 1,6-NAPHTHALENEDITHIOL AND METHOD FOR PRODUCING SAME スガイ化学工業株式会社 2023-09-21 WO disclosed
EP-1831728-B1 DISPLAYS HAVING A HIGH REFRACTIVE INDEX, DURABLE HARDCOAT LAYER 3M INNOVATIVE PROPERTIES CO (US) 2009-07-29 EP 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-20240217926-A1 1,6-NAPHTHALENEDITHIOL PRODUCT AND PROCESS FOR PRODUCING THE SAME SULT1A1, SULT2A1, DNTT ALDH1A1 386/4885ACHE 3542/4885NCEH1 441/4885

“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.