SCHEMBL5838290

SCHEMBL5838290

CNCC(=O)Nc1c(C)cccc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
NFKB1 P19838 1/20 0.61
CYP2C19 P33261 1/20 0.61
MAPT P10636 3/20 0.57
SCN3A Q9NY46 3/20 0.57
LMNA P02545 3/20 0.57
ALDH1A1 P00352 3/20 0.57
SCN1A P35498 2/20 0.57
SCN2A Q99250 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57

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
SCHEMBL30300553 0.86 MEN1 (0.62) MEN1KMT2ACYP1A2CYP2C9NFKB1
SCHEMBL28707285 0.85 MEN1 (0.61) MEN1KMT2ACYP1A2CYP2C9NFKB1
SCHEMBL10356574 0.83 KDR (0.48) MEN1KMT2ACYP1A2CYP2C9NFKB1
SCHEMBL1232491 0.81 MAPT (0.58) MEN1KMT2ACYP1A2CYP2C9NFKB1
SCHEMBL28911206 0.80 MEN1 (0.56) MEN1KMT2ACYP1A2CYP2C9NFKB1
SCHEMBL11775586 0.80 MEN1 (0.56) MEN1KMT2ACYP1A2CYP2C9NFKB1
SCHEMBL10567645 0.80 MAPT (0.66) MEN1KMT2ACYP1A2CYP2C9NFKB1
SCHEMBL5892506 0.80 KMT2A (0.65) MEN1KMT2ACYP1A2CYP2C9NFKB1
SCHEMBL7138056 0.79 KMT2A (0.50) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL8398430 0.79 CA1 (0.43) MEN1KMT2ACYP1A2CYP2C9NFKB1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697639-B2 Quaternary ammonium salt compound, preparation method therefor and use thereof WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2023-07-11 US disclosed
US-20210107872-A1 QUATERNARY AMMONIUM SALT COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2021-04-15 US disclosed
EP-3750870-A1 QUATERNARY AMMONIUM SALT COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF West China Hospital, Sichuan University (CN) 2020-12-16 EP disclosed
WO-2019154288-A1 CATIONIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川大学华西医院 2019-08-15 WO disclosed
WO-2019154287-A1 QUATERNARY AMMONIUM SALT COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川大学华西医院 2019-08-15 WO disclosed
US-7033765-B1 Site-specific drug delivery TORONTO RESEARCH CHEMICALS, INC. (CA) 2006-04-25 US disclosed
US-20060009375-A1 Site-specific drug delivery TORONTO RESEARCH CHEMICALS, INC. (CA) 2006-01-12 US disclosed
EP-0966304-B1 SITE-SPECIFIC DRUG DELIVERY DIME DAVID S (CA) 2005-05-25 EP disclosed
EP-1140803-B1 ((AMINOIMINOMETHYL) AMINO) ALKANECARBOXAMIDES AND THEIR APPLICATIONS IN THERAPY MERCK PATENT GMBH (DE) 2003-10-22 EP disclosed
US-6576791-B1 Local anesthetic compounds and uses THERAVANCE, INC. 2003-06-10 US disclosed
US-6337423-B1 BIND TO VOLTAGE-GATED SODIUM ION CHANNELS TO MODULATE ACTIVITY ADVANCED MEDICINE, INC. 2002-01-08 US disclosed
EP-1140803-A1 ((AMINOIMINOMETHYL) AMINO) ALKANECARBOXAMIDES AND THEIR APPLICATIONS IN THERAPY MERCK PATENT GmbH (DE) 2001-10-10 EP disclosed
WO-1999064045-A9 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS ADVANCED MEDICINE INC (US) 2001-07-05 WO disclosed
EP-1066245-A4 NOVEL LOCAL ANESTHETIC COMPOUNDS AND USES ADVANCED MEDICINE INC (US) 2001-01-24 EP disclosed
EP-1066245-A1 NOVEL LOCAL ANESTHETIC COMPOUNDS AND USES Advanced Medicine, Inc. (US) 2001-01-10 EP disclosed
WO-2000042001-A1 ((AMINOIMINOMETHYL) AMINO) ALKANECARBOXAMIDES AND THEIR APPLICATIONS IN THERAPY MERCK PATENT GMBH (DE) 2000-07-20 WO disclosed
EP-0966304-A1 SITE-SPECIFIC DRUG DELIVERY Dime, David S. (CA) 1999-12-29 EP disclosed
WO-1999051565-A9 NOVEL LOCAL ANESTHETIC COMPOUNDS AND USES ADVANCED MEDICINE INC (US) 1999-12-02 WO disclosed
WO-1999051565-A1 NOVEL LOCAL ANESTHETIC COMPOUNDS AND USES ADVANCED MEDICINE, INC. (US) 1999-10-14 WO disclosed
WO-1998036777-A1 SITE-SPECIFIC DRUG DELIVERY DIME DAVID S (CA) 1998-08-27 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 (3 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-11697639-B2 Quaternary ammonium salt compound, preparation method therefor and use thereof SCN11A, SLC6A11, SCN8A MEN1 2906/4885KMT2A 3172/4885CYP1A2 3171/4885
US-20060009375-A1 Site-specific drug delivery ABCG2, ABCB1, DHFR MEN1 3755/4885KMT2A 3341/4885CYP1A2 357/4885
US-20210107872-A1 QUATERNARY AMMONIUM SALT COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, SLC6A11, SCN8A MEN1 2906/4885KMT2A 3172/4885CYP1A2 3171/4885

“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.