SCHEMBL3685446

SCHEMBL3685446

CCCCNC(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 8/20 0.50
CPB1 P15086 1/20 0.47
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A5 Q9Y345 1/20 0.35
NOD1 Q9Y239 1/20 0.35
BCHE P06276 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HCAR3 P49019 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3685448 1.00 CPB2 (0.50) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL10009250 0.96 CPB2 (0.52) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL10009247 0.96 CPB2 (0.52) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL19138219 0.95 CPB2 (0.51) CPB2CPB1ALDH1A1CYP1A2CYP3A4
Ammonia Solution, Strong SCHEMBL5964368 0.95 CPB2 (0.51) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL29503862 0.95 CPB2 (0.51) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL1667030 0.95 CPB2 (0.51) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL19138220 0.95 CPB2 (0.51) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL1667027 0.95 CPB2 (0.51) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL30978072 0.95 CPB2 (0.51) CPB2CPB1ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410680-B1 STRESS RESISTANCE THERAPY DENDRIMOLECULAR, INC. 2002-06-25 US claimed
CN-115368344-A Histidine derivative and preparation method and application thereof 湖北科技学院 2022-11-22 CN disclosed
CN-107108520-B Process for the synthesis of ergothioneine and related compounds 开普敦大学 2018-11-02 CN disclosed
US-7812044-B2 Anticancer agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-12 US disclosed
US-20050119323-A1 Anticancer agents UEMURA, HIROJI (JP) 2005-06-02 US disclosed
EP-1444988-A1 ANTICANCER AGENTS Takeda Chemical Industries, Ltd. (JP) 2004-08-11 EP disclosed
EP-0799221-B1 QUINAZOLINES AS INHIBITORS OF ENDOTHELIN CONVERTING ENZYME WARNER LAMBERT CO (US) 2002-10-30 EP disclosed
US-5614510-A AMMONIUM SALTS PERSTORP AB (SE) 1997-03-25 US disclosed
EP-0627922-A1 A PHARMACEUTICAL COMPOSITION WITH IMPROVED BIOAVAILABILITY OF INOSITOL PHOSPHATE PERSTORP AB (SE) 1994-12-14 EP disclosed
WO-1994028012-A1 HYDROXAMATE INHIBITORS OF ENDOTHELIN CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1994-12-08 WO disclosed
WO-1993016705-A1 A PHARMACEUTICAL COMPOSITION WITH IMPROVED BIOAVAILABILITY OF INOSITOL PHOSPHATE PERSTORP AB (SE) 1993-09-02 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 (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-20050119323-A1 Anticancer agents AGT, ACE, CCAR2 CPB2 711/4885CPB1 976/4885ALDH1A1 1324/4885

“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.