SCHEMBL7115255

SCHEMBL7115255

CCN(CC)CCN1C(=O)C(c2ccccc2)(c2ccccc2)Sc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
GHSR Q92847 2/20 0.43
MAOB P27338 1/20 0.40
KDM1A O60341 1/20 0.40
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36

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
Diethazine SCHEMBL30592079 0.73 POLB (0.83) POLBKDM4ECYP1A2CYP3A4CYP2D6
Diethazine SCHEMBL142924 0.73 POLB (0.83) POLBKDM4ECYP1A2CYP3A4CYP2D6
Diethazine SCHEMBL142381 0.72 POLB (0.81) POLBKDM4ECYP1A2CYP3A4CYP2D6
Diethazine SCHEMBL1650081 0.71 POLB (0.78) POLBKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL7114679 0.71 BCHE (0.41) POLBKDM4ECYP2D6MAPTBCHE
SCHEMBL1963112 0.69 SCN1A (0.49) POLBGHSRMAOBACHE
SCHEMBL7570555 0.67 FAAH (0.50) POLBGHSRMAOB
Hydrochloric Acid SCHEMBL30833262 0.67 CYP2C19 (0.64) POLBCYP1A2CYP2C19GHSRMAOB
SCHEMBL4247663 0.65 CYP1A2 (0.71) POLBKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL6177257 0.65 GHSR (0.74) POLBGHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187256-A1 Benoxazinones/benzothiazinones as serine protease inhibitors BERRYMAN KENT ALAN (US) 2003-10-02 US claimed
EP-1068191-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP claimed
WO-1999050257-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 WO claimed
US-20030187256-A1 Benoxazinones/benzothiazinones as serine protease inhibitors BERRYMAN KENT ALAN (US) 2003-10-02 US disclosed
US-6509335-B1 This invention discloses benzoxazinone and benzothiazinone compounds which display inhibitory effects on serine proteases such as factor Xa, thrombin, and/or factor VIIa. The invention also discloses pharmaceutically acceptable salts of WARNER-LAMBERT COMPANY 2003-01-21 US disclosed
EP-1068191-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP disclosed
WO-1999050257-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 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-20030187256-A1 Benoxazinones/benzothiazinones as serine protease inhibitors HABP2, SPINT2, SERPINB1 POLB 4517/4885KDM4E 946/4885CYP1A2 1003/4885

“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.